8009-9901 Screening compound: 4-bromophenyl 4-formylbenzene-1-sulfonate

8009-9901 Screening compound: 4-bromophenyl 4-formylbenzene-1-sulfonate
8009-9901 Screening compound: 4-bromophenyl 4-formylbenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-9901
4-bromophenyl 4-formylbenzene-1-sulfonate

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

8009-9901

Molecular Formula

C13H9BrO4S (C13 H9 BrO4 S)

Compound Name

4-bromophenyl 4-formylbenzene-1-sulfonate

IUPAC name

4-bromophenyl 4-formylbenzene-1-sulfonate

SMILES

O=Cc(cc1)ccc1S(Oc(cc1)ccc1Br)(=O)=O

InChI

InChI=1S/C13H9BrO4S/c14-11-3-5-12(6-4-11)18-19(16,17)13-7-1-10(9-15)2-8-13/h1-9H

InChI Key

GAWCUPSYZKFMTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02646610

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.18

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.388

Distribution Coefficient, logD

3.388

Water Solubility, LogSw

-3.59

Polar Surface Area

50.159

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8009-9901 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8009-9901 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-9901?
Check Price and Availability of 8009-9901, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8009-9901 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-9901
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-9901
  • 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 8009-9901 available by request