C201-1477 Screening compound: methyl 2-(7,8-dimethyl-4-sulfanylidene-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate

C201-1477 Screening compound: methyl 2-(7,8-dimethyl-4-sulfanylidene-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate
C201-1477 Screening compound: methyl 2-(7,8-dimethyl-4-sulfanylidene-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-1477
methyl 2-(7,8-dimethyl-4-sulfanylidene-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate

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

C201-1477

Molecular Formula

C14H16N2O2S (C14 H16 N2 O2 S)

Compound Name

methyl 2-(7,8-dimethyl-4-sulfanylidene-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate

IUPAC name

methyl 2-(78-dimethyl-4-sulfanylidene-45-dihydro-1H-15-benzodiazepin-2-yl)acetate

SMILES

Cc(c(C)c1)cc(NC(CC(OC)=O)=C2)c1NC2=S

InChI

InChI=1S/C14H16N2O2S/c1-8-4-11-12(5-9(8)2)16-13(19)6-10(15-11)7-14(17)18-3/h4-6,15H,7H2,1-3H3,(H,16,19)

InChI Key

GREGUTLWJKSJGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD21086731

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.839

Distribution Coefficient, logD

2.832

Water Solubility, LogSw

-3.17

Polar Surface Area

44.412

Acid Dissociation Constant (pKa)

10.13

Base Dissociation Constant (pKb)

5.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C201-1477 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C201-1477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-1477?
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What is the minimum amount of C201-1477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-1477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-1477
  • 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 C201-1477 available by request