G856-3147 Screening compound: N-{2-[4-methyl-2-(pyridin-3-yl)-1,3-thiazol-5-yl]ethyl}-3-nitrobenzene-1-sulfonamide

G856-3147 Screening compound: N-{2-[4-methyl-2-(pyridin-3-yl)-1,3-thiazol-5-yl]ethyl}-3-nitrobenzene-1-sulfonamide
G856-3147 Screening compound: N-{2-[4-methyl-2-(pyridin-3-yl)-1,3-thiazol-5-yl]ethyl}-3-nitrobenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-3147
N-{2-[4-methyl-2-(pyridin-3-yl)-1,3-thiazol-5-yl]ethyl}-3-nitrobenzene-1-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

G856-3147

Molecular Formula

C17H16N4O4S2 (C17 H16 N4 O4 S2)

Compound Name

N-{2-[4-methyl-2-(pyridin-3-yl)-1,3-thiazol-5-yl]ethyl}-3-nitrobenzene-1-sulfonamide

IUPAC name

N-{2-[4-methyl-2-(pyridin-3-yl)-13-thiazol-5-yl]ethyl}-3-nitrobenzene-1-sulfonamide

SMILES

Cc1c(CCNS(c2cc([N+]([O-])=O)ccc2)(=O)=O)sc(-c2cnccc2)n1

InChI

InChI=1S/C17H16N4O4S2/c1-12-16(26-17(20-12)13-4-3-8-18-11-13)7-9-19-27(24,25)15-6-2-5-14(10-15)21(22)23/h2-6,8,10-11,19H,7,9H2,1H3

InChI Key

PPOLQSNONOULBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06737647

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.082

Distribution Coefficient, logD

2.530

Water Solubility, LogSw

-3.33

Polar Surface Area

95.048

Acid Dissociation Constant (pKa)

11.46

Base Dissociation Constant (pKb)

7.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

G856-3147 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G856-3147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-3147?
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What is the minimum amount of G856-3147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-3147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-3147
  • 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 G856-3147 available by request