Y031-9251 Screening compound: N-(4-bromo-2-fluorophenyl)-4-fluoro-N-[(4-fluorophenyl)sulfonyl]-1-benzenesulfonamide

Y031-9251 Screening compound: N-(4-bromo-2-fluorophenyl)-4-fluoro-N-[(4-fluorophenyl)sulfonyl]-1-benzenesulfonamide
Y031-9251 Screening compound: N-(4-bromo-2-fluorophenyl)-4-fluoro-N-[(4-fluorophenyl)sulfonyl]-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-9251
N-(4-bromo-2-fluorophenyl)-4-fluoro-N-[(4-fluorophenyl)sulfonyl]-1-benzenesulfonamide

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

Y031-9251

Molecular Formula

C18H11BrF3NO4S2 (C18 H11 BrF3 NO4 S2)

Compound Name

N-(4-bromo-2-fluorophenyl)-4-fluoro-N-[(4-fluorophenyl)sulfonyl]-1-benzenesulfonamide

IUPAC name

N-(4-bromo-2-fluorophenyl)-4-fluoro-N-(4-fluorobenzenesulfonyl)benzene-1-sulfonamide

SMILES

O=S(c(cc1)ccc1F)(N(c(ccc(Br)c1)c1F)S(c(cc1)ccc1F)(=O)=O)=O

InChI

InChI=1S/C18H11BrF3NO4S2/c19-12-1-10-18(17(22)11-12)23(28(24,25)15-6-2-13(20)3-7-15)29(26,27)16-8-4-14(21)5-9-16/h1-11H

InChI Key

MIPWWDWAHDMECA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01988603

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.961

Distribution Coefficient, logD

4.961

Water Solubility, LogSw

-5.03

Polar Surface Area

60.702

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-27.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with Y031-9251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-9251?
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What is the minimum amount of Y031-9251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-9251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-9251
  • 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 Y031-9251 available by request