G942-0172 Screening compound: 1-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-4-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione

G942-0172 Screening compound: 1-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-4-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione
G942-0172 Screening compound: 1-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-4-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G942-0172
1-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-4-methyl-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

G942-0172

Molecular Formula

C23H26N4O4 (C23 H26 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

CN(CC(N(CC(N(CC1)CCN1c(cc1)ccc1OC)=O)c1c2cccc1)=O)C2=O

InChI

InChI=1S/C23H26N4O4/c1-24-15-22(29)27(20-6-4-3-5-19(20)23(24)30)16-21(28)26-13-11-25(12-14-26)17-7-9-18(31-2)10-8-17/h3-10H,11-16H2,1-2H3

InChI Key

QVCJCWUWGJTAIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15076529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.712

Distribution Coefficient, logD

0.711

Water Solubility, LogSw

-2.10

Polar Surface Area

59.493

Acid Dissociation Constant (pKa)

22.92

Base Dissociation Constant (pKb)

7.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

G942-0172 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G942-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G942-0172?
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What is the minimum amount of G942-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G942-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G942-0172
  • 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 G942-0172 available by request