K788-4363 Screening compound: 2-[7-chloro-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-1-yl]-N-[3-(methylsulfanyl)phenyl]acetamide

K788-4363 Screening compound: 2-[7-chloro-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-1-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
K788-4363 Screening compound: 2-[7-chloro-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-1-yl]-N-[3-(methylsulfanyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-4363
2-[7-chloro-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-1-yl]-N-[3-(methylsulfanyl)phenyl]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

K788-4363

Molecular Formula

C24H19Cl2N3O2S (C24 H19 Cl2 N3 O2 S)

Compound Name

2-[7-chloro-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-1-yl]-N-[3-(methylsulfanyl)phenyl]acetamide

IUPAC name

2-[7-chloro-5-(2-chlorophenyl)-2-oxo-23-dihydro-1H-14-benzodiazepin-1-yl]-N-[3-(methylsulfanyl)phenyl]acetamide

SMILES

CSc1cccc(NC(CN(c(ccc(Cl)c2)c2C(c(cccc2)c2Cl)=NC2)C2=O)=O)c1

InChI

InChI=1S/C24H19Cl2N3O2S/c1-32-17-6-4-5-16(12-17)28-22(30)14-29-21-10-9-15(25)11-19(21)24(27-13-23(29)31)18-7-2-3-8-20(18)26/h2-12H,13-14H2,1H3,(H,28,30)

InChI Key

LMWMTUFRDXZIBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15104917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.612

Distribution Coefficient, logD

4.612

Water Solubility, LogSw

-4.64

Polar Surface Area

47.091

Acid Dissociation Constant (pKa)

12.42

Base Dissociation Constant (pKb)

0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

K788-4363 in Drug Discovery

Included in Screening Libraries

Bromodomain Modulators Library (5801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 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 K788-4363 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-4363?
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What is the minimum amount of K788-4363 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-4363
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-4363
  • 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 K788-4363 available by request