G642-7131 Screening compound: 2-{4-acetyl-5-[4-(2-chlorobenzamido)phenyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}-4-methoxyphenyl acetate

G642-7131 Screening compound: 2-{4-acetyl-5-[4-(2-chlorobenzamido)phenyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}-4-methoxyphenyl acetate
G642-7131 Screening compound: 2-{4-acetyl-5-[4-(2-chlorobenzamido)phenyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}-4-methoxyphenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G642-7131
2-{4-acetyl-5-[4-(2-chlorobenzamido)phenyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}-4-methoxyphenyl 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

G642-7131

Molecular Formula

C26H22ClN3O6 (C26 H22 ClN3 O6)

Compound Name

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

IUPAC name

2-{4-acetyl-5-[4-(2-chlorobenzamido)phenyl]-45-dihydro-134-oxadiazol-2-yl}-4-methoxyphenyl acetate

SMILES

CC(N1N=C(c(cc(cc2)OC)c2OC(C)=O)OC1c(cc1)ccc1NC(c(cccc1)c1Cl)=O)=O

InChI

InChI=1S/C26H22ClN3O6/c1-15(31)30-26(36-25(29-30)21-14-19(34-3)12-13-23(21)35-16(2)32)17-8-10-18(11-9-17)28-24(33)20-6-4-5-7-22(20)27/h4-14,26H,1-3H3,(H,28,33)/t26-/m0/s1

InChI Key

VKDROLCDJRVKEL-SANMLTNESA-N

MDL Number (MFCD)

MFCD27148623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.93

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.167

Distribution Coefficient, logD

4.166

Water Solubility, LogSw

-4.61

Polar Surface Area

86.724

Acid Dissociation Constant (pKa)

10.15

Base Dissociation Constant (pKb)

0.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

G642-7131 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with G642-7131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G642-7131?
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What is the minimum amount of G642-7131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G642-7131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G642-7131
  • 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 G642-7131 available by request