D321-0363 Screening compound: 3-{4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamido}benzoic acid

D321-0363 Screening compound: 3-{4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamido}benzoic acid
D321-0363 Screening compound: 3-{4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamido}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D321-0363
3-{4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamido}benzoic acid

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

D321-0363

Molecular Formula

C19H16ClN3O4 (C19 H16 ClN3 O4)

Compound Name

3-{4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamido}benzoic acid

IUPAC name

3-{4-[3-(4-chlorophenyl)-124-oxadiazol-5-yl]butanamido}benzoic acid

SMILES

OC(c1cccc(NC(CCCc2nc(-c(cc3)ccc3Cl)no2)=O)c1)=O

InChI

InChI=1S/C19H16ClN3O4/c20-14-9-7-12(8-10-14)18-22-17(27-23-18)6-2-5-16(24)21-15-4-1-3-13(11-15)19(25)26/h1,3-4,7-11H,2,5-6H2,(H,21,24)(H,25,26)

InChI Key

QWHHJDKPPQWHQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819080

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.81

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.539

Distribution Coefficient, logD

1.654

Water Solubility, LogSw

-4.61

Polar Surface Area

82.867

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

D321-0363 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

SH2 Library (10483 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with D321-0363 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D321-0363?
Check Price and Availability of D321-0363, 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 D321-0363 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D321-0363
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D321-0363
  • 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 D321-0363 available by request