7653-2984 Screening compound: 3-(2-{[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)-2H-chromen-2-one

7653-2984 Screening compound: 3-(2-{[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)-2H-chromen-2-one
7653-2984 Screening compound: 3-(2-{[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7653-2984
3-(2-{[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)-2H-chromen-2-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

7653-2984

Molecular Formula

C19H12N2O5S (C19 H12 N2 O5 S)

Compound Name

3-(2-{[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)-2H-chromen-2-one

IUPAC name

3-(2-{[5-(4-hydroxyphenyl)-134-oxadiazol-2-yl]sulfanyl}acetyl)-2H-chromen-2-one

SMILES

Oc(cc1)ccc1-c(o1)nnc1SCC(C1=Cc(cccc2)c2OC1=O)=O

InChI

InChI=1S/C19H12N2O5S/c22-13-7-5-11(6-8-13)17-20-21-19(26-17)27-10-15(23)14-9-12-3-1-2-4-16(12)25-18(14)24/h1-9,22H,10H2

InChI Key

YRELAQVGSLUSLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06601596

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.38

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.471

Distribution Coefficient, logD

2.463

Water Solubility, LogSw

-2.73

Polar Surface Area

81.850

Acid Dissociation Constant (pKa)

9.10

Base Dissociation Constant (pKb)

-5.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

7653-2984 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 7653-2984 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7653-2984?
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What is the minimum amount of 7653-2984 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7653-2984
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7653-2984
  • 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 7653-2984 available by request