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CAS 182683-50-7 PKCε Inhibitor Peptide molecular structure lightbox
CAS RN: 182683-50-7

PKCε Inhibitor Peptide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250422 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS182683-50-7
  • Purity/Analytical Methods: >99.0%
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182683-50-7 / (4S)-4-amino-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[(2S)-2-[[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Standard CAS: 182683-50-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
182683-50-7
Multi CAS
No
Molecular Formula
C37H65N9O13
Molecular Weight
844.000000
Exact Mass
843.470183
SMILES
C[C@H]([C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)N)O
InChI
InChI=1S/C37H65N9O13/c1-18(2)16-24(32(53)41-23(10-7-8-14-38)36(57)46-15-9-11-26(46)34(55)45-29(21(6)48)37(58)59)42-33(54)25(17-47)43-35(56)28(19(3)4)44-30(51)20(5)40-31(52)22(39)12-13-27(49)50/h18-26,28-29,47-48H,7-17,38-39H2,1-6H3,(H,40,52)(H,41,53)(H,42,54)(H,43,56)(H,44,51)(H,45,55)(H,49,50)(H,58,59)/t20-,21+,22-,23-,24-,25-,26-,28-,29-/m0/s1
InChIKey
KNTBAGOTDJPUJV-XMTFRXHISA-N

Computed Properties

Structural Parameters

Heavy atom count
59
Fraction Csp3
0.76
Rotatable bonds
26
H-bond acceptors
13
H-bond donors
12
Molar refractivity
210.44
TPSA
362.01

LogP / Solubility

WLOGP
-3.61
MLOGP
-3.1
XLogP3
-6.9
Consensus LogP
-4.54
Log S (ESOL)
-1.08
Class (ESOL)
Soluble
Log S (Ali)
-3.87
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.27
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-10.43

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8.5

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