[email protected]
CAS 1210437-59-4 5-(5-Bromo-1H-pyrrolo-[2,3-b]pyridin-3-yl)-N-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine molecular structure lightbox
CAS RN: 1210437-59-4

5-(5-Bromo-1H-pyrrolo-[2,3-b]pyridin-3-yl)-N-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine

  • Product code: SSC-022402
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1210437-59-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
0.25g ≥95% 1 In Stock Hong Kong Inquiry
1g ≥95% 1 In Stock Hong Kong Inquiry
5g ≥95% 1 In Stock Shenzhen Inquiry

1210437-59-4 / 5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine

5-[5-Bromopyrrolo[2,3-b]pyridin-3-yl]-N-(3-methoxybenzyl)-1,3,4-oxadiazol-2-amine | MFCD31543822 | 5-(5-Bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine

Standard CAS: 1210437-59-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1210437-59-4
Multi CAS
No
Molecular Formula
C17H14BrN5O2
Molecular Weight
400.200000
Exact Mass
399.033090
SMILES
COC1=CC=CC(=C1)CNC2=NN=C(O2)C3=CNC4=C3C=C(C=N4)Br
InChI
InChI=1S/C17H14BrN5O2/c1-24-12-4-2-3-10(5-12)7-21-17-23-22-16(25-17)14-9-20-15-13(14)6-11(18)8-19-15/h2-6,8-9H,7H2,1H3,(H,19,20)(H,21,23)
InChIKey
MTANWHPMHVTCCO-UHFFFAOYSA-N
Synonyms
5-[5-Bromopyrrolo[2,3-b]pyridin-3-yl]-N-(3-methoxybenzyl)-1,3,4-oxadiazol-2-amine MFCD31543822 5-(5-Bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine 5-{5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl}-N-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine 5-(5-Bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methoxybenzyl)-1,3,4-oxadiazol-2-amine

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
20
Fraction Csp3
0.12
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
97.41
TPSA
88.86

LogP / Solubility

WLOGP
4
MLOGP
3.54
XLogP3
3.3
Consensus LogP
3.61
Log S (ESOL)
-5.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.73
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.18
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us