D398-0492 Screening compound: 5-(3-chlorophenyl)-3-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-1,2-oxazole

D398-0492 Screening compound: 5-(3-chlorophenyl)-3-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-1,2-oxazole
D398-0492 Screening compound: 5-(3-chlorophenyl)-3-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-1,2-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D398-0492
5-(3-chlorophenyl)-3-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-1,2-oxazole

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

D398-0492

Molecular Formula

C21H19ClN2O3 (C21 H19 ClN2 O3)

Compound Name

5-(3-chlorophenyl)-3-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-1,2-oxazole

IUPAC name

5-(3-chlorophenyl)-3-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-12-oxazole

SMILES

COc1ccc(C(CCC2)N2C(c2noc(-c3cccc(Cl)c3)c2)=O)cc1

InChI

InChI=1S/C21H19ClN2O3/c1-26-17-9-7-14(8-10-17)19-6-3-11-24(19)21(25)18-13-20(27-23-18)15-4-2-5-16(22)12-15/h2,4-5,7-10,12-13,19H,3,6,11H2,1H3/t19-/m0/s1

InChI Key

HPAKJGKBZAJUIF-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27583405

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.85

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.613

Distribution Coefficient, logD

4.613

Water Solubility, LogSw

-4.98

Polar Surface Area

45.754

Acid Dissociation Constant (pKa)

24.12

Base Dissociation Constant (pKb)

-8.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

D398-0492 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
Mechanism of action:
  • Epigenetic
  • PPI modulators

References: we are preparing a list of scientific research reports with D398-0492 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D398-0492?
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What is the minimum amount of D398-0492 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D398-0492
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D398-0492
  • 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 D398-0492 available by request