G642-1464 Screening compound: N-{4-[4-acetyl-5-(5-nitrofuran-2-yl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]phenyl}cyclohexanecarboxamide

G642-1464 Screening compound: N-{4-[4-acetyl-5-(5-nitrofuran-2-yl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]phenyl}cyclohexanecarboxamide
G642-1464 Screening compound: N-{4-[4-acetyl-5-(5-nitrofuran-2-yl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]phenyl}cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G642-1464
N-{4-[4-acetyl-5-(5-nitrofuran-2-yl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]phenyl}cyclohexanecarboxamide

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

G642-1464

Molecular Formula

C21H22N4O6 (C21 H22 N4 O6)

Compound Name

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

IUPAC name

N-{4-[4-acetyl-5-(5-nitrofuran-2-yl)-45-dihydro-134-oxadiazol-2-yl]phenyl}cyclohexanecarboxamide

SMILES

CC(N1N=C(c(cc2)ccc2NC(C2CCCCC2)=O)OC1c1ccc([N+]([O-])=O)o1)=O

InChI

InChI=1S/C21H22N4O6/c1-13(26)24-21(17-11-12-18(30-17)25(28)29)31-20(23-24)15-7-9-16(10-8-15)22-19(27)14-5-3-2-4-6-14/h7-12,14,21H,2-6H2,1H3,(H,22,27)/t21-/m0/s1

InChI Key

LTIUHRFAELGIED-NRFANRHFSA-N

MDL Number (MFCD)

MFCD15025203

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.43

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.274

Distribution Coefficient, logD

3.274

Water Solubility, LogSw

-3.55

Polar Surface Area

101.195

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

0.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

G642-1464 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 G642-1464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G642-1464?
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What is the minimum amount of G642-1464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G642-1464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G642-1464
  • 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 G642-1464 available by request