G642-7012 Screening compound: N-{3-[3-acetyl-5-(5-nitrothiophen-2-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl}-4-chlorobenzamide

G642-7012 Screening compound: N-{3-[3-acetyl-5-(5-nitrothiophen-2-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl}-4-chlorobenzamide
G642-7012 Screening compound: N-{3-[3-acetyl-5-(5-nitrothiophen-2-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl}-4-chlorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G642-7012
N-{3-[3-acetyl-5-(5-nitrothiophen-2-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl}-4-chlorobenzamide

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

G642-7012

Molecular Formula

C21H15ClN4O5S (C21 H15 ClN4 O5 S)

Compound Name

N-{3-[3-acetyl-5-(5-nitrothiophen-2-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl}-4-chlorobenzamide

IUPAC name

N-{3-[3-acetyl-5-(5-nitrothiophen-2-yl)-23-dihydro-134-oxadiazol-2-yl]phenyl}-4-chlorobenzamide

SMILES

CC(N1N=C(c2ccc([N+]([O-])=O)s2)OC1c1cccc(NC(c(cc2)ccc2Cl)=O)c1)=O

InChI

InChI=1S/C21H15ClN4O5S/c1-12(27)25-21(31-20(24-25)17-9-10-18(32-17)26(29)30)14-3-2-4-16(11-14)23-19(28)13-5-7-15(22)8-6-13/h2-11,21H,1H3,(H,23,28)/t21-/m0/s1

InChI Key

JSPMHBIPJCBPDW-NRFANRHFSA-N

MDL Number (MFCD)

MFCD15025667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.89

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.831

Distribution Coefficient, logD

4.829

Water Solubility, LogSw

-5.04

Polar Surface Area

93.094

Acid Dissociation Constant (pKa)

9.92

Base Dissociation Constant (pKb)

-1.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.50

G642-7012 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with G642-7012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G642-7012?
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What is the minimum amount of G642-7012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G642-7012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G642-7012
  • 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 G642-7012 available by request