8451-02529 Screening compound: 2-{[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1,2-diphenylethan-1-one

8451-02529 Screening compound: 2-{[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1,2-diphenylethan-1-one
8451-02529 Screening compound: 2-{[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1,2-diphenylethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8451-02529
2-{[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1,2-diphenylethan-1-one

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

8451-02529

Molecular Formula

C23H18N2O2S (C23 H18 N2 O2 S)

Compound Name

2-{[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1,2-diphenylethan-1-one

IUPAC name

2-{[5-(4-methylphenyl)-134-oxadiazol-2-yl]sulfanyl}-12-diphenylethan-1-one

SMILES

Cc(cc1)ccc1-c(o1)nnc1SC(C(c1ccccc1)=O)c1ccccc1

InChI

InChI=1S/C23H18N2O2S/c1-16-12-14-19(15-13-16)22-24-25-23(27-22)28-21(18-10-6-3-7-11-18)20(26)17-8-4-2-5-9-17/h2-15,21H,1H3/t21-/m1/s1

InChI Key

WMEKAPXKGWIMJF-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD03303914

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.613

Distribution Coefficient, logD

5.613

Water Solubility, LogSw

-5.66

Polar Surface Area

43.531

Acid Dissociation Constant (pKa)

13.68

Base Dissociation Constant (pKb)

-3.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.70

8451-02529 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 8451-02529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8451-02529?
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What is the minimum amount of 8451-02529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8451-02529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8451-02529
  • 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 8451-02529 available by request