C201-1933 Screening compound: ethyl 2-(2-{[4-(4-methoxyphenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)benzoate

C201-1933 Screening compound: ethyl 2-(2-{[4-(4-methoxyphenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)benzoate
C201-1933 Screening compound: ethyl 2-(2-{[4-(4-methoxyphenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-1933
ethyl 2-(2-{[4-(4-methoxyphenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)benzoate

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

C201-1933

Molecular Formula

C29H29N3O4S (C29 H29 N3 O4 S)

Compound Name

ethyl 2-(2-{[4-(4-methoxyphenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)benzoate

IUPAC name

ethyl 2-(2-{[4-(4-methoxyphenyl)-78-dimethyl-3H-15-benzodiazepin-2-yl]sulfanyl}acetamido)benzoate

SMILES

CCOC(c(cccc1)c1NC(CSC(C1)=Nc(cc(C)c(C)c2)c2N=C1c(cc1)ccc1OC)=O)=O

InChI

InChI=1S/C29H29N3O4S/c1-5-36-29(34)22-8-6-7-9-23(22)31-27(33)17-37-28-16-24(20-10-12-21(35-4)13-11-20)30-25-14-18(2)19(3)15-26(25)32-28/h6-15H,5,16-17H2,1-4H3,(H,31,33)

InChI Key

ONLPEVCUZSNQLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14729832

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.878

Distribution Coefficient, logD

5.854

Water Solubility, LogSw

-5.48

Polar Surface Area

68.939

Acid Dissociation Constant (pKa)

8.78

Base Dissociation Constant (pKb)

5.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

C201-1933 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 C201-1933 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-1933?
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What is the minimum amount of C201-1933 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-1933
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-1933
  • 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 C201-1933 available by request