8451-08285 Screening compound: 2-(4-bromophenyl)-5-{[(3-chlorophenyl)methyl]sulfanyl}-1,3,4-oxadiazole

8451-08285 Screening compound: 2-(4-bromophenyl)-5-{[(3-chlorophenyl)methyl]sulfanyl}-1,3,4-oxadiazole
8451-08285 Screening compound: 2-(4-bromophenyl)-5-{[(3-chlorophenyl)methyl]sulfanyl}-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8451-08285
2-(4-bromophenyl)-5-{[(3-chlorophenyl)methyl]sulfanyl}-1,3,4-oxadiazole

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

8451-08285

Molecular Formula

C15H10BrClN2OS (C15 H10 BrClN2 OS)

Compound Name

2-(4-bromophenyl)-5-{[(3-chlorophenyl)methyl]sulfanyl}-1,3,4-oxadiazole

IUPAC name

2-(4-bromophenyl)-5-{[(3-chlorophenyl)methyl]sulfanyl}-134-oxadiazole

SMILES

Clc1cccc(CSc2nnc(-c(cc3)ccc3Br)o2)c1

InChI

InChI=1S/C15H10BrClN2OS/c16-12-6-4-11(5-7-12)14-18-19-15(20-14)21-9-10-2-1-3-13(17)8-10/h1-8H,9H2

InChI Key

NOBVMPXEFHIIQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10465604

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.68

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.171

Distribution Coefficient, logD

5.171

Water Solubility, LogSw

-5.82

Polar Surface Area

30.064

Acid Dissociation Constant (pKa)

24.29

Base Dissociation Constant (pKb)

-3.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

8451-08285 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8451-08285 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8451-08285?
Check Price and Availability of 8451-08285, 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 8451-08285 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8451-08285
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8451-08285
  • 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 8451-08285 available by request