G801-0450 Screening compound: N-(3-chloro-2-methylphenyl)-1,3,6-trimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide

G801-0450 Screening compound: N-(3-chloro-2-methylphenyl)-1,3,6-trimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide
G801-0450 Screening compound: N-(3-chloro-2-methylphenyl)-1,3,6-trimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G801-0450
N-(3-chloro-2-methylphenyl)-1,3,6-trimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide

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

G801-0450

Molecular Formula

C17H18ClN3O3S (C17 H18 ClN3 O3 S)

Compound Name

N-(3-chloro-2-methylphenyl)-1,3,6-trimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide

IUPAC name

N-(3-chloro-2-methylphenyl)-136-trimethyl-2-oxo-23-dihydro-1H-13-benzodiazole-5-sulfonamide

SMILES

Cc(cc(c(N1C)c2)N(C)C1=O)c2S(Nc1cccc(Cl)c1C)(=O)=O

InChI

InChI=1S/C17H18ClN3O3S/c1-10-8-14-15(21(4)17(22)20(14)3)9-16(10)25(23,24)19-13-7-5-6-12(18)11(13)2/h5-9,19H,1-4H3

InChI Key

JIIUBSQZVVEDHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27160946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.87

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.742

Distribution Coefficient, logD

2.951

Water Solubility, LogSw

-3.98

Polar Surface Area

57.875

Acid Dissociation Constant (pKa)

6.69

Base Dissociation Constant (pKb)

-2.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

G801-0450 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 G801-0450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G801-0450?
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What is the minimum amount of G801-0450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G801-0450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G801-0450
  • 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 G801-0450 available by request