G642-7002 Screening compound: 2-{4-acetyl-5-[3-(3-chlorobenzamido)phenyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}-6-methoxy-4-nitrophenyl acetate

G642-7002 Screening compound: 2-{4-acetyl-5-[3-(3-chlorobenzamido)phenyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}-6-methoxy-4-nitrophenyl acetate
G642-7002 Screening compound: 2-{4-acetyl-5-[3-(3-chlorobenzamido)phenyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}-6-methoxy-4-nitrophenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G642-7002
2-{4-acetyl-5-[3-(3-chlorobenzamido)phenyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}-6-methoxy-4-nitrophenyl 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

G642-7002

Molecular Formula

C26H21ClN4O8 (C26 H21 ClN4 O8)

Compound Name

2-{4-acetyl-5-[3-(3-chlorobenzamido)phenyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}-6-methoxy-4-nitrophenyl acetate

IUPAC name

2-{4-acetyl-5-[3-(3-chlorobenzamido)phenyl]-45-dihydro-134-oxadiazol-2-yl}-6-methoxy-4-nitrophenyl acetate

SMILES

CC(N1N=C(c(cc(cc2OC)[N+]([O-])=O)c2OC(C)=O)OC1c1cccc(NC(c2cccc(Cl)c2)=O)c1)=O

InChI

InChI=1S/C26H21ClN4O8/c1-14(32)30-26(17-7-5-9-19(11-17)28-24(34)16-6-4-8-18(27)10-16)39-25(29-30)21-12-20(31(35)36)13-22(37-3)23(21)38-15(2)33/h4-13,26H,1-3H3,(H,28,34)/t26-/m0/s1

InChI Key

HJNAXDYYZTWHIA-SANMLTNESA-N

MDL Number (MFCD)

MFCD15025665

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

552.93

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

4.175

Distribution Coefficient, logD

4.173

Water Solubility, LogSw

-4.74

Polar Surface Area

120.279

Acid Dissociation Constant (pKa)

9.96

Base Dissociation Constant (pKb)

-1.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with G642-7002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G642-7002?
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What is the minimum amount of G642-7002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G642-7002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G642-7002
  • 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 G642-7002 available by request