G847-0078 Screening compound: N-(4-bromo-2-fluorophenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzene-1-sulfonamide

G847-0078 Screening compound: N-(4-bromo-2-fluorophenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzene-1-sulfonamide
G847-0078 Screening compound: N-(4-bromo-2-fluorophenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G847-0078
N-(4-bromo-2-fluorophenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzene-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

G847-0078

Molecular Formula

C16H12BrFN2O3S (C16 H12 BrFN2 O3 S)

Compound Name

N-(4-bromo-2-fluorophenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzene-1-sulfonamide

IUPAC name

N-(4-bromo-2-fluorophenyl)-4-(2-methyl-13-oxazol-4-yl)benzene-1-sulfonamide

SMILES

Cc1nc(-c(cc2)ccc2S(Nc(ccc(Br)c2)c2F)(=O)=O)co1

InChI

InChI=1S/C16H12BrFN2O3S/c1-10-19-16(9-23-10)11-2-5-13(6-3-11)24(21,22)20-15-7-4-12(17)8-14(15)18/h2-9,20H,1H3

InChI Key

JYAPNZOXTNSXDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15039907

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.25

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.250

Distribution Coefficient, logD

1.975

Water Solubility, LogSw

-4.34

Polar Surface Area

57.887

Acid Dissociation Constant (pKa)

5.13

Base Dissociation Constant (pKb)

0.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

G847-0078 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Structure:
  • Pool

References: we are preparing a list of scientific research reports with G847-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G847-0078?
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What is the minimum amount of G847-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G847-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G847-0078
  • 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 G847-0078 available by request