D400-1497 Screening compound: N-{2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl}-5-oxo-1-propylpyrrolidine-3-carboxamide

D400-1497 Screening compound: N-{2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl}-5-oxo-1-propylpyrrolidine-3-carboxamide
D400-1497 Screening compound: N-{2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl}-5-oxo-1-propylpyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D400-1497
N-{2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl}-5-oxo-1-propylpyrrolidine-3-carboxamide

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

D400-1497

Molecular Formula

C23H24N4O3 (C23 H24 N4 O3)

Compound Name

N-{2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl}-5-oxo-1-propylpyrrolidine-3-carboxamide

IUPAC name

N-{2-[3-(4-methylphenyl)-124-oxadiazol-5-yl]phenyl}-5-oxo-1-propylpyrrolidine-3-carboxamide

SMILES

CCCN(CC(C1)C(Nc(cccc2)c2-c2nc(-c3ccc(C)cc3)no2)=O)C1=O

InChI

InChI=1S/C23H24N4O3/c1-3-12-27-14-17(13-20(27)28)22(29)24-19-7-5-4-6-18(19)23-25-21(26-30-23)16-10-8-15(2)9-11-16/h4-11,17H,3,12-14H2,1-2H3,(H,24,29)/t17-/m1/s1

InChI Key

XDRZHKFYXIFJDV-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD14827069

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.735

Distribution Coefficient, logD

3.735

Water Solubility, LogSw

-3.86

Polar Surface Area

71.483

Acid Dissociation Constant (pKa)

12.20

Base Dissociation Constant (pKb)

-0.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.43

D400-1497 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D400-1497 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D400-1497?
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What is the minimum amount of D400-1497 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D400-1497
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D400-1497
  • 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 D400-1497 available by request