C201-1940 Screening compound: 2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-(3,4,5-trimethoxyphenyl)acetamide

C201-1940 Screening compound: 2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-(3,4,5-trimethoxyphenyl)acetamide
C201-1940 Screening compound: 2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-(3,4,5-trimethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-1940
2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-(3,4,5-trimethoxyphenyl)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

C201-1940

Molecular Formula

C25H24N4O4S (C25 H24 N4 O4 S)

Compound Name

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

IUPAC name

2-{[4-(pyridin-2-yl)-3H-15-benzodiazepin-2-yl]sulfanyl}-N-(345-trimethoxyphenyl)acetamide

SMILES

COc1cc(NC(CSC(C2)=Nc(cccc3)c3N=C2c2ncccc2)=O)cc(OC)c1OC

InChI

InChI=1S/C25H24N4O4S/c1-31-21-12-16(13-22(32-2)25(21)33-3)27-23(30)15-34-24-14-20(17-8-6-7-11-26-17)28-18-9-4-5-10-19(18)29-24/h4-13H,14-15H2,1-3H3,(H,27,30)

InChI Key

VKNVFIRXNQKYNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26963261

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.999

Distribution Coefficient, logD

2.997

Water Solubility, LogSw

-3.53

Polar Surface Area

73.365

Acid Dissociation Constant (pKa)

10.40

Base Dissociation Constant (pKb)

4.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C201-1940 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C201-1940 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-1940?
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What is the minimum amount of C201-1940 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-1940
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-1940
  • 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 C201-1940 available by request