G642-2766 Screening compound: 4-{3-acetyl-5-[2-(acetyloxy)-5-chlorophenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl}-2-methoxyphenyl thiophene-2-carboxylate

G642-2766 Screening compound: 4-{3-acetyl-5-[2-(acetyloxy)-5-chlorophenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl}-2-methoxyphenyl thiophene-2-carboxylate
G642-2766 Screening compound: 4-{3-acetyl-5-[2-(acetyloxy)-5-chlorophenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl}-2-methoxyphenyl thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G642-2766
4-{3-acetyl-5-[2-(acetyloxy)-5-chlorophenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl}-2-methoxyphenyl thiophene-2-carboxylate

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

G642-2766

Molecular Formula

C24H19ClN2O7S (C24 H19 ClN2 O7 S)

Compound Name

4-{3-acetyl-5-[2-(acetyloxy)-5-chlorophenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl}-2-methoxyphenyl thiophene-2-carboxylate

IUPAC name

4-{3-acetyl-5-[2-(acetyloxy)-5-chlorophenyl]-23-dihydro-134-oxadiazol-2-yl}-2-methoxyphenyl thiophene-2-carboxylate

SMILES

CC(N1N=C(c(cc(cc2)Cl)c2OC(C)=O)OC1c(cc1)cc(OC)c1OC(c1cccs1)=O)=O

InChI

InChI=1S/C24H19ClN2O7S/c1-13(28)27-23(34-22(26-27)17-12-16(25)7-9-18(17)32-14(2)29)15-6-8-19(20(11-15)31-3)33-24(30)21-5-4-10-35-21/h4-12,23H,1-3H3/t23-/m1/s1

InChI Key

AEARQAAYFGTZIC-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD15025407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.94

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.492

Distribution Coefficient, logD

4.492

Water Solubility, LogSw

-4.92

Polar Surface Area

85.202

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

-1.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

G642-2766 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 G642-2766 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G642-2766?
Check Price and Availability of G642-2766, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G642-2766 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G642-2766
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G642-2766
  • 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 G642-2766 available by request