D399-2801 Screening compound: N-(3-chloro-4-fluorophenyl)-2-(thiophen-2-yl)pyrrolidine-1-carboxamide

D399-2801 Screening compound: N-(3-chloro-4-fluorophenyl)-2-(thiophen-2-yl)pyrrolidine-1-carboxamide
D399-2801 Screening compound: N-(3-chloro-4-fluorophenyl)-2-(thiophen-2-yl)pyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D399-2801
N-(3-chloro-4-fluorophenyl)-2-(thiophen-2-yl)pyrrolidine-1-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

D399-2801

Molecular Formula

C15H14ClFN2OS (C15 H14 ClFN2 OS)

Compound Name

N-(3-chloro-4-fluorophenyl)-2-(thiophen-2-yl)pyrrolidine-1-carboxamide

IUPAC name

N-(3-chloro-4-fluorophenyl)-2-(thiophen-2-yl)pyrrolidine-1-carboxamide

SMILES

O=C(Nc(cc1)cc(Cl)c1F)N(CCC1)C1c1cccs1

InChI

InChI=1S/C15H14ClFN2OS/c16-11-9-10(5-6-12(11)17)18-15(20)19-7-1-3-13(19)14-4-2-8-21-14/h2,4-6,8-9,13H,1,3,7H2,(H,18,20)/t13-/m0/s1

InChI Key

YNMXUSWJTMHBQS-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD10702997

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.81

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.816

Distribution Coefficient, logD

3.816

Water Solubility, LogSw

-4.32

Polar Surface Area

26.514

Acid Dissociation Constant (pKa)

10.88

Base Dissociation Constant (pKb)

-2.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.70

D399-2801 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D399-2801 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D399-2801?
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What is the minimum amount of D399-2801 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D399-2801
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D399-2801
  • 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 D399-2801 available by request