0971-0024 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 4-[(methoxymethyl)sulfanyl]benzoate

0971-0024 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 4-[(methoxymethyl)sulfanyl]benzoate
0971-0024 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 4-[(methoxymethyl)sulfanyl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0971-0024
2-(4-bromophenyl)-2-oxoethyl 4-[(methoxymethyl)sulfanyl]benzoate

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

0971-0024

Molecular Formula

C17H15BrO4S (C17 H15 BrO4 S)

Compound Name

2-(4-bromophenyl)-2-oxoethyl 4-[(methoxymethyl)sulfanyl]benzoate

IUPAC name

2-(4-bromophenyl)-2-oxoethyl 4-[(methoxymethyl)sulfanyl]benzoate

SMILES

COCSc(cc1)ccc1C(OCC(c(cc1)ccc1Br)=O)=O

InChI

InChI=1S/C17H15BrO4S/c1-21-11-23-15-8-4-13(5-9-15)17(20)22-10-16(19)12-2-6-14(18)7-3-12/h2-9H,10-11H2,1H3

InChI Key

AHCILOSVEJZUOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00993793

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.27

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.429

Distribution Coefficient, logD

4.429

Water Solubility, LogSw

-4.47

Polar Surface Area

43.032

Acid Dissociation Constant (pKa)

22.46

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

0971-0024 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0971-0024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0971-0024?
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What is the minimum amount of 0971-0024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0971-0024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0971-0024
  • 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 0971-0024 available by request