G942-0095 Screening compound: 4-methyl-1-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione

G942-0095 Screening compound: 4-methyl-1-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione
G942-0095 Screening compound: 4-methyl-1-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G942-0095
4-methyl-1-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione

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

G942-0095

Molecular Formula

C24H28N4O3 (C24 H28 N4 O3)

Compound Name

4-methyl-1-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione

IUPAC name

4-methyl-1-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2345-tetrahydro-1H-14-benzodiazepine-25-dione

SMILES

CC(CN(CC1)C(CN(c(cccc2)c2C(N(C)C2)=O)C2=O)=O)N1c1cc(C)ccc1

InChI

InChI=1S/C24H28N4O3/c1-17-7-6-8-19(13-17)27-12-11-26(14-18(27)2)22(29)16-28-21-10-5-4-9-20(21)24(31)25(3)15-23(28)30/h4-10,13,18H,11-12,14-16H2,1-3H3/t18-/m0/s1

InChI Key

IXXWQOPRMHIZHJ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD15076501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.519

Distribution Coefficient, logD

1.519

Water Solubility, LogSw

-2.34

Polar Surface Area

51.168

Acid Dissociation Constant (pKa)

22.92

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

G942-0095 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G942-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G942-0095?
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What is the minimum amount of G942-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G942-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G942-0095
  • 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 G942-0095 available by request