G642-2001 Screening compound: 4-[4-acetyl-5-(4-chloro-3-nitrophenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]-2-(acetyloxy)phenyl acetate

G642-2001 Screening compound: 4-[4-acetyl-5-(4-chloro-3-nitrophenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]-2-(acetyloxy)phenyl acetate
G642-2001 Screening compound: 4-[4-acetyl-5-(4-chloro-3-nitrophenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]-2-(acetyloxy)phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G642-2001
4-[4-acetyl-5-(4-chloro-3-nitrophenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]-2-(acetyloxy)phenyl acetate

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

G642-2001

Molecular Formula

C20H16ClN3O8 (C20 H16 ClN3 O8)

Compound Name

4-[4-acetyl-5-(4-chloro-3-nitrophenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]-2-(acetyloxy)phenyl acetate

IUPAC name

4-[4-acetyl-5-(4-chloro-3-nitrophenyl)-45-dihydro-134-oxadiazol-2-yl]-2-(acetyloxy)phenyl acetate

SMILES

CC(N1N=C(c(cc2)cc(OC(C)=O)c2OC(C)=O)OC1c(cc1)cc([N+]([O-])=O)c1Cl)=O

InChI

InChI=1S/C20H16ClN3O8/c1-10(25)23-20(14-4-6-15(21)16(8-14)24(28)29)32-19(22-23)13-5-7-17(30-11(2)26)18(9-13)31-12(3)27/h4-9,20H,1-3H3/t20-/m0/s1

InChI Key

QZCZPSMCGPHKRM-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD15025350

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.82

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.109

Distribution Coefficient, logD

3.109

Water Solubility, LogSw

-3.79

Polar Surface Area

110.007

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with G642-2001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G642-2001?
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What is the minimum amount of G642-2001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G642-2001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G642-2001
  • 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 G642-2001 available by request