G801-0895 Screening compound: 5-chloro-6-{[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl}-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one

G801-0895 Screening compound: 5-chloro-6-{[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl}-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
G801-0895 Screening compound: 5-chloro-6-{[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl}-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G801-0895
5-chloro-6-{[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl}-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one

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

G801-0895

Molecular Formula

C21H25ClN4O3S (C21 H25 ClN4 O3 S)

Compound Name

5-chloro-6-{[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl}-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one

IUPAC name

5-chloro-6-{[4-(25-dimethylphenyl)piperazin-1-yl]sulfonyl}-13-dimethyl-23-dihydro-1H-13-benzodiazol-2-one

SMILES

Cc1cc(N(CC2)CCN2S(c(cc(c(N2C)c3)N(C)C2=O)c3Cl)(=O)=O)c(C)cc1

InChI

InChI=1S/C21H25ClN4O3S/c1-14-5-6-15(2)17(11-14)25-7-9-26(10-8-25)30(28,29)20-13-19-18(12-16(20)22)23(3)21(27)24(19)4/h5-6,11-13H,7-10H2,1-4H3

InChI Key

MIZADKYGPVHXAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27161025

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.97

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.062

Distribution Coefficient, logD

4.062

Water Solubility, LogSw

-4.28

Polar Surface Area

52.593

Acid Dissociation Constant (pKa)

27.94

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

G801-0895 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Hsp90-Targeted Library (11355 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G801-0895 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G801-0895?
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What is the minimum amount of G801-0895 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G801-0895
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G801-0895
  • 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 G801-0895 available by request