T396-1152 Screening compound: 2-(2-chloro-4-methoxyphenyl)-N-[6-(3-cyclopentyl-2-oxoimidazolidin-1-yl)pyridin-3-yl]acetamide

T396-1152 Screening compound: 2-(2-chloro-4-methoxyphenyl)-N-[6-(3-cyclopentyl-2-oxoimidazolidin-1-yl)pyridin-3-yl]acetamide
T396-1152 Screening compound: 2-(2-chloro-4-methoxyphenyl)-N-[6-(3-cyclopentyl-2-oxoimidazolidin-1-yl)pyridin-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T396-1152
2-(2-chloro-4-methoxyphenyl)-N-[6-(3-cyclopentyl-2-oxoimidazolidin-1-yl)pyridin-3-yl]acetamide

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

T396-1152

Molecular Formula

C22H25ClN4O3 (C22 H25 ClN4 O3)

Compound Name

2-(2-chloro-4-methoxyphenyl)-N-[6-(3-cyclopentyl-2-oxoimidazolidin-1-yl)pyridin-3-yl]acetamide

IUPAC name

2-(2-chloro-4-methoxyphenyl)-N-[6-(3-cyclopentyl-2-oxoimidazolidin-1-yl)pyridin-3-yl]acetamide

SMILES

COc1cc(Cl)c(CC(Nc(cc2)cnc2N(CCN2C3CCCC3)C2=O)=O)cc1

InChI

InChI=1S/C22H25ClN4O3/c1-30-18-8-6-15(19(23)13-18)12-21(28)25-16-7-9-20(24-14-16)27-11-10-26(22(27)29)17-4-2-3-5-17/h6-9,13-14,17H,2-5,10-12H2,1H3,(H,25,28)

InChI Key

VYMWYKJHDBENDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29023876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.92

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.677

Distribution Coefficient, logD

4.676

Water Solubility, LogSw

-4.85

Polar Surface Area

58.939

Acid Dissociation Constant (pKa)

11.47

Base Dissociation Constant (pKb)

3.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

T396-1152 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with T396-1152 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T396-1152?
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What is the minimum amount of T396-1152 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T396-1152
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T396-1152
  • 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 T396-1152 available by request