[email protected]
CAS 2097512-23-5 PROTAC BRD9-binding moiety 1 hydrochloride molecular structure lightbox
CAS RN: 2097512-23-5

PROTAC BRD9-binding moiety 1 hydrochloride

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251101 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS2097512-23-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

2097512-23-5 / 2-[4-[2-[N'-(1,1-dioxothian-4-yl)carbamimidoyl]-5-methyl-4-oxothieno[3,2-c]pyridin-7-yl]-2-methoxyphenoxy]acetic acid

Standard CAS: 2097512-23-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2097512-23-5
Multi CAS
No
Molecular Formula
C23H25N3O7S2
Molecular Weight
519.600000
Exact Mass
519.113392
SMILES
CN1C=C(C2=C(C1=O)C=C(S2)C(=NC3CCS(=O)(=O)CC3)N)C4=CC(=C(C=C4)OCC(=O)O)OC
InChI
InChI=1S/C23H25N3O7S2/c1-26-11-16(13-3-4-17(18(9-13)32-2)33-12-20(27)28)21-15(23(26)29)10-19(34-21)22(24)25-14-5-7-35(30,31)8-6-14/h3-4,9-11,14H,5-8,12H2,1-2H3,(H2,24,25)(H,27,28)
InChIKey
OLJITCURTVADQX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
15
Fraction Csp3
0.35
Rotatable bonds
7
H-bond acceptors
9
H-bond donors
2
Molar refractivity
134.58
TPSA
150.28

LogP / Solubility

WLOGP
2.02
MLOGP
1.82
XLogP3
1.2
Consensus LogP
1.68
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.56
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us