G642-6778 Screening compound: N-{3-[3-acetyl-5-(5-methylfuran-2-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl}-3-chlorobenzamide

G642-6778 Screening compound: N-{3-[3-acetyl-5-(5-methylfuran-2-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl}-3-chlorobenzamide
G642-6778 Screening compound: N-{3-[3-acetyl-5-(5-methylfuran-2-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl}-3-chlorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G642-6778
N-{3-[3-acetyl-5-(5-methylfuran-2-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl}-3-chlorobenzamide

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

G642-6778

Molecular Formula

C22H18ClN3O4 (C22 H18 ClN3 O4)

Compound Name

N-{3-[3-acetyl-5-(5-methylfuran-2-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl}-3-chlorobenzamide

IUPAC name

N-{3-[3-acetyl-5-(5-methylfuran-2-yl)-23-dihydro-134-oxadiazol-2-yl]phenyl}-3-chlorobenzamide

SMILES

CC(N1N=C(c2ccc(C)o2)OC1c1cccc(NC(c2cccc(Cl)c2)=O)c1)=O

InChI

InChI=1S/C22H18ClN3O4/c1-13-9-10-19(29-13)21-25-26(14(2)27)22(30-21)16-6-4-8-18(12-16)24-20(28)15-5-3-7-17(23)11-15/h3-12,22H,1-2H3,(H,24,28)

InChI Key

CGSLPSYSCXBJJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15025638

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.555

Distribution Coefficient, logD

4.554

Water Solubility, LogSw

-4.74

Polar Surface Area

66.435

Acid Dissociation Constant (pKa)

9.96

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

G642-6778 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 G642-6778 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G642-6778?
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What is the minimum amount of G642-6778 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G642-6778
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G642-6778
  • 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 G642-6778 available by request