G642-6585 Screening compound: 2-[4-acetyl-5-(4-chlorophenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]phenyl acetate

G642-6585 Screening compound: 2-[4-acetyl-5-(4-chlorophenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]phenyl acetate
G642-6585 Screening compound: 2-[4-acetyl-5-(4-chlorophenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G642-6585
2-[4-acetyl-5-(4-chlorophenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]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

G642-6585

Molecular Formula

C18H15ClN2O4 (C18 H15 ClN2 O4)

Compound Name

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

IUPAC name

2-[4-acetyl-5-(4-chlorophenyl)-45-dihydro-134-oxadiazol-2-yl]phenyl acetate

SMILES

CC(N1N=C(c(cccc2)c2OC(C)=O)OC1c(cc1)ccc1Cl)=O

InChI

InChI=1S/C18H15ClN2O4/c1-11(22)21-18(13-7-9-14(19)10-8-13)25-17(20-21)15-5-3-4-6-16(15)24-12(2)23/h3-10,18H,1-2H3/t18-/m0/s1

InChI Key

VECNABNVSVUKJJ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27148596

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.78

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.342

Distribution Coefficient, logD

3.342

Water Solubility, LogSw

-4.10

Polar Surface Area

56.089

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

G642-6585 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 G642-6585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G642-6585?
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What is the minimum amount of G642-6585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G642-6585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G642-6585
  • 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 G642-6585 available by request