8013-9485 Screening compound: 4-bromo-2-formylphenyl 4-methyl-1-benzenesulfonate

8013-9485 Screening compound: 4-bromo-2-formylphenyl 4-methyl-1-benzenesulfonate
8013-9485 Screening compound: 4-bromo-2-formylphenyl 4-methyl-1-benzenesulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-9485
4-bromo-2-formylphenyl 4-methyl-1-benzenesulfonate

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

8013-9485

Molecular Formula

C14H11BrO4S (C14 H11 BrO4 S)

Compound Name

4-bromo-2-formylphenyl 4-methyl-1-benzenesulfonate

IUPAC name

4-bromo-2-formylphenyl 4-methylbenzene-1-sulfonate

SMILES

Cc(cc1)ccc1S(Oc(cc1)c(C=O)cc1Br)(=O)=O

InChI

InChI=1S/C14H11BrO4S/c1-10-2-5-13(6-3-10)20(17,18)19-14-7-4-12(15)8-11(14)9-16/h2-9H,1H3

InChI Key

AGNPYJFZUSTRLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03081013

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.21

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

3.773

Distribution Coefficient, logD

3.773

Water Solubility, LogSw

-3.86

Polar Surface Area

50.246

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.14

8013-9485 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8013-9485 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-9485?
Check Price and Availability of 8013-9485, 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 8013-9485 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-9485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-9485
  • 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 8013-9485 available by request