G642-0130 Screening compound: 1-[5-(3-chlorophenyl)-2-(3-nitrophenyl)-2,3-dihydro-1,3,4-oxadiazol-3-yl]ethan-1-one

G642-0130 Screening compound: 1-[5-(3-chlorophenyl)-2-(3-nitrophenyl)-2,3-dihydro-1,3,4-oxadiazol-3-yl]ethan-1-one
G642-0130 Screening compound: 1-[5-(3-chlorophenyl)-2-(3-nitrophenyl)-2,3-dihydro-1,3,4-oxadiazol-3-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G642-0130
1-[5-(3-chlorophenyl)-2-(3-nitrophenyl)-2,3-dihydro-1,3,4-oxadiazol-3-yl]ethan-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

G642-0130

Molecular Formula

C16H12ClN3O4 (C16 H12 ClN3 O4)

Compound Name

1-[5-(3-chlorophenyl)-2-(3-nitrophenyl)-2,3-dihydro-1,3,4-oxadiazol-3-yl]ethan-1-one

IUPAC name

1-[5-(3-chlorophenyl)-2-(3-nitrophenyl)-23-dihydro-134-oxadiazol-3-yl]ethan-1-one

SMILES

CC(N1N=C(c2cccc(Cl)c2)OC1c1cc([N+]([O-])=O)ccc1)=O

InChI

InChI=1S/C16H12ClN3O4/c1-10(21)19-16(12-5-3-7-14(9-12)20(22)23)24-15(18-19)11-4-2-6-13(17)8-11/h2-9,16H,1H3/t16-/m1/s1

InChI Key

OAMOUHNNMKAKSY-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD02046111

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.74

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.774

Distribution Coefficient, logD

3.774

Water Solubility, LogSw

-4.20

Polar Surface Area

68.633

Acid Dissociation Constant (pKa)

23.45

Base Dissociation Constant (pKb)

-0.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

G642-0130 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G642-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G642-0130?
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What is the minimum amount of G642-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G642-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G642-0130
  • 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 G642-0130 available by request