1174-0189 Screening compound: 4-bromophenyl phenylmethanesulfonate

1174-0189 Screening compound: 4-bromophenyl phenylmethanesulfonate
1174-0189 Screening compound: 4-bromophenyl phenylmethanesulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1174-0189
4-bromophenyl phenylmethanesulfonate

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

1174-0189

Molecular Formula

C13H11BrO3S (C13 H11 BrO3 S)

Compound Name

4-bromophenyl phenylmethanesulfonate

IUPAC name

4-bromophenyl phenylmethanesulfonate

SMILES

O=S(Cc1ccccc1)(Oc(cc1)ccc1Br)=O

InChI

InChI=1S/C13H11BrO3S/c14-12-6-8-13(9-7-12)17-18(15,16)10-11-4-2-1-3-5-11/h1-9H,10H2

InChI Key

JDHUPTGMBHJTPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01536580

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.2

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.547

Distribution Coefficient, logD

3.547

Water Solubility, LogSw

-3.54

Polar Surface Area

35.076

Acid Dissociation Constant (pKa)

20.10

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

1174-0189 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Cardiovascular Library (22201 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cardiovascular
Agro:
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1174-0189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1174-0189?
Check Price and Availability of 1174-0189, 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 1174-0189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1174-0189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1174-0189
  • 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 1174-0189 available by request