D400-1406 Screening compound: 1-benzyl-N-{2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl}-5-oxopyrrolidine-3-carboxamide

D400-1406 Screening compound: 1-benzyl-N-{2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl}-5-oxopyrrolidine-3-carboxamide
D400-1406 Screening compound: 1-benzyl-N-{2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl}-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D400-1406
1-benzyl-N-{2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl}-5-oxopyrrolidine-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

D400-1406

Molecular Formula

C27H24N4O3 (C27 H24 N4 O3)

Compound Name

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

IUPAC name

1-benzyl-N-{2-[3-(3-methylphenyl)-124-oxadiazol-5-yl]phenyl}-5-oxopyrrolidine-3-carboxamide

SMILES

Cc1cccc(-c2noc(-c(cccc3)c3NC(C(C3)CN(Cc4ccccc4)C3=O)=O)n2)c1

InChI

InChI=1S/C27H24N4O3/c1-18-8-7-11-20(14-18)25-29-27(34-30-25)22-12-5-6-13-23(22)28-26(33)21-15-24(32)31(17-21)16-19-9-3-2-4-10-19/h2-14,21H,15-17H2,1H3,(H,28,33)/t21-/m1/s1

InChI Key

MKKVZPIRPMDCPU-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD14827048

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.51

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

4.306

Distribution Coefficient, logD

4.306

Water Solubility, LogSw

-4.38

Polar Surface Area

71.233

Acid Dissociation Constant (pKa)

12.20

Base Dissociation Constant (pKb)

-3.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.50

D400-1406 in Drug Discovery

Included in Screening Libraries

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 D400-1406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D400-1406?
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What is the minimum amount of D400-1406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D400-1406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D400-1406
  • 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 D400-1406 available by request