D398-1275 Screening compound: 4-[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]-3,5-dimethyl-1,2-oxazole

D398-1275 Screening compound: 4-[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]-3,5-dimethyl-1,2-oxazole
D398-1275 Screening compound: 4-[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]-3,5-dimethyl-1,2-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D398-1275
4-[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]-3,5-dimethyl-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

D398-1275

Molecular Formula

C16H17ClN2O2 (C16 H17 ClN2 O2)

Compound Name

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

IUPAC name

4-[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]-35-dimethyl-12-oxazole

SMILES

Cc1noc(C)c1C(N(CCC1)C1c(cccc1)c1Cl)=O

InChI

InChI=1S/C16H17ClN2O2/c1-10-15(11(2)21-18-10)16(20)19-9-5-8-14(19)12-6-3-4-7-13(12)17/h3-4,6-7,14H,5,8-9H2,1-2H3/t14-/m0/s1

InChI Key

GSFXZQOPYVLOOS-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27583570

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.78

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.829

Distribution Coefficient, logD

2.829

Water Solubility, LogSw

-3.57

Polar Surface Area

38.713

Acid Dissociation Constant (pKa)

22.78

Base Dissociation Constant (pKb)

-2.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

D398-1275 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Antifungal Library (16415 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
  • Infections
  • Immune system
  • animal
  • Cancer
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators
Agro:
  • Agro
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with D398-1275 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D398-1275?
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What is the minimum amount of D398-1275 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D398-1275
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D398-1275
  • 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 D398-1275 available by request