G942-0013 Screening compound: 2-(4-methyl-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

G942-0013 Screening compound: 2-(4-methyl-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
G942-0013 Screening compound: 2-(4-methyl-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G942-0013
2-(4-methyl-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-1-yl)-N-[3-(trifluoromethyl)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

G942-0013

Molecular Formula

C19H16F3N3O3 (C19 H16 F3 N3 O3)

Compound Name

2-(4-methyl-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-(4-methyl-25-dioxo-2345-tetrahydro-1H-14-benzodiazepin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

SMILES

CN(CC(N(CC(Nc1cccc(C(F)(F)F)c1)=O)c1c2cccc1)=O)C2=O

InChI

InChI=1S/C19H16F3N3O3/c1-24-11-17(27)25(15-8-3-2-7-14(15)18(24)28)10-16(26)23-13-6-4-5-12(9-13)19(20,21)22/h2-9H,10-11H2,1H3,(H,23,26)

InChI Key

ZTYGVHYHKQMAOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15076459

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.087

Distribution Coefficient, logD

2.087

Water Solubility, LogSw

-3.29

Polar Surface Area

55.446

Acid Dissociation Constant (pKa)

10.20

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

G942-0013 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • PPI modulators
  • Epigenetic
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G942-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G942-0013?
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What is the minimum amount of G942-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G942-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G942-0013
  • 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 G942-0013 available by request