D399-2793 Screening compound: N-(2,5-dimethylphenyl)-2-(thiophen-2-yl)pyrrolidine-1-carboxamide

D399-2793 Screening compound: N-(2,5-dimethylphenyl)-2-(thiophen-2-yl)pyrrolidine-1-carboxamide
D399-2793 Screening compound: N-(2,5-dimethylphenyl)-2-(thiophen-2-yl)pyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D399-2793
N-(2,5-dimethylphenyl)-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

D399-2793

Molecular Formula

C17H20N2OS (C17 H20 N2 OS)

Compound Name

N-(2,5-dimethylphenyl)-2-(thiophen-2-yl)pyrrolidine-1-carboxamide

IUPAC name

N-(25-dimethylphenyl)-2-(thiophen-2-yl)pyrrolidine-1-carboxamide

SMILES

Cc1cc(NC(N(CCC2)C2c2cccs2)=O)c(C)cc1

InChI

InChI=1S/C17H20N2OS/c1-12-7-8-13(2)14(11-12)18-17(20)19-9-3-5-15(19)16-6-4-10-21-16/h4,6-8,10-11,15H,3,5,9H2,1-2H3,(H,18,20)/t15-/m0/s1

InChI Key

DDUMPQYHLKSXNS-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD10703122

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.42

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

3.523

Distribution Coefficient, logD

3.523

Water Solubility, LogSw

-3.59

Polar Surface Area

25.816

Acid Dissociation Constant (pKa)

14.50

Base Dissociation Constant (pKb)

-0.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

D399-2793 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D399-2793 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D399-2793?
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What is the minimum amount of D399-2793 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D399-2793
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D399-2793
  • 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 D399-2793 available by request