G801-1031 Screening compound: 5-chloro-1,3-dimethyl-6-[(4-phenylpiperazin-1-yl)sulfonyl]-2,3-dihydro-1H-1,3-benzodiazol-2-one

G801-1031 Screening compound: 5-chloro-1,3-dimethyl-6-[(4-phenylpiperazin-1-yl)sulfonyl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
G801-1031 Screening compound: 5-chloro-1,3-dimethyl-6-[(4-phenylpiperazin-1-yl)sulfonyl]-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G801-1031
5-chloro-1,3-dimethyl-6-[(4-phenylpiperazin-1-yl)sulfonyl]-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

G801-1031

Molecular Formula

C19H21ClN4O3S (C19 H21 ClN4 O3 S)

Compound Name

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

IUPAC name

n/a

SMILES

CN(c(c(N1C)c2)cc(S(N(CC3)CCN3c3ccccc3)(=O)=O)c2Cl)C1=O

InChI

InChI=1S/C19H21ClN4O3S/c1-21-16-12-15(20)18(13-17(16)22(2)19(21)25)28(26,27)24-10-8-23(9-11-24)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3

InChI Key

ZXAFXRJQDPQQIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27161049

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.92

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

2.904

Distribution Coefficient, logD

2.904

Water Solubility, LogSw

-3.39

Polar Surface Area

52.894

Acid Dissociation Constant (pKa)

27.94

Base Dissociation Constant (pKb)

2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

G801-1031 in Drug Discovery

Included in Screening Libraries

Hsp90-Targeted Library (11355 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G801-1031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G801-1031?
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What is the minimum amount of G801-1031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G801-1031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G801-1031
  • 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 G801-1031 available by request