C201-1832 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide

C201-1832 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
C201-1832 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-1832
N-[2-(4-chlorophenyl)ethyl]-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C201-1832

Molecular Formula

C24H21ClN4OS (C24 H21 ClN4 OS)

Compound Name

N-[2-(4-chlorophenyl)ethyl]-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide

IUPAC name

N-[2-(4-chlorophenyl)ethyl]-2-{[4-(pyridin-2-yl)-3H-15-benzodiazepin-2-yl]sulfanyl}acetamide

SMILES

O=C(CSC(C1)=Nc(cccc2)c2N=C1c1ncccc1)NCCc(cc1)ccc1Cl

InChI

InChI=1S/C24H21ClN4OS/c25-18-10-8-17(9-11-18)12-14-27-23(30)16-31-24-15-22(19-5-3-4-13-26-19)28-20-6-1-2-7-21(20)29-24/h1-11,13H,12,14-16H2,(H,27,30)

InChI Key

RBJMPOMXFQNJHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26963211

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.98

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.669

Distribution Coefficient, logD

3.662

Water Solubility, LogSw

-4.16

Polar Surface Area

51.550

Acid Dissociation Constant (pKa)

11.51

Base Dissociation Constant (pKb)

5.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C201-1832 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C201-1832 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-1832?
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What is the minimum amount of C201-1832 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-1832
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-1832
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C201-1832 available by request