G642-1791 Screening compound: 2-[3-acetyl-5-(3-nitrophenyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-4,6-dichlorophenyl acetate

G642-1791 Screening compound: 2-[3-acetyl-5-(3-nitrophenyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-4,6-dichlorophenyl acetate
G642-1791 Screening compound: 2-[3-acetyl-5-(3-nitrophenyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-4,6-dichlorophenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G642-1791
2-[3-acetyl-5-(3-nitrophenyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-4,6-dichlorophenyl 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

G642-1791

Molecular Formula

C18H13Cl2N3O6 (C18 H13 Cl2 N3 O6)

Compound Name

2-[3-acetyl-5-(3-nitrophenyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-4,6-dichlorophenyl acetate

IUPAC name

2-[3-acetyl-5-(3-nitrophenyl)-23-dihydro-134-oxadiazol-2-yl]-46-dichlorophenyl acetate

SMILES

CC(N1N=C(c2cc([N+]([O-])=O)ccc2)OC1c1cc(Cl)cc(Cl)c1OC(C)=O)=O

InChI

InChI=1S/C18H13Cl2N3O6/c1-9(24)22-18(14-7-12(19)8-15(20)16(14)28-10(2)25)29-17(21-22)11-4-3-5-13(6-11)23(26)27/h3-8,18H,1-2H3/t18-/m0/s1

InChI Key

NDXYUGHKYNNTRK-SFHVURJKSA-N

MDL Number (MFCD)

MFCD15025284

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.22

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.089

Distribution Coefficient, logD

4.089

Water Solubility, LogSw

-4.54

Polar Surface Area

89.557

Acid Dissociation Constant (pKa)

22.43

Base Dissociation Constant (pKb)

-3.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with G642-1791 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G642-1791?
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What is the minimum amount of G642-1791 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G642-1791
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G642-1791
  • 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 G642-1791 available by request