T396-1531 Screening compound: N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)pyridin-3-yl]-3,4-difluorobenzamide

T396-1531 Screening compound: N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)pyridin-3-yl]-3,4-difluorobenzamide
T396-1531 Screening compound: N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)pyridin-3-yl]-3,4-difluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T396-1531
N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)pyridin-3-yl]-3,4-difluorobenzamide

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

T396-1531

Molecular Formula

C21H22F2N4O2 (C21 H22 F2 N4 O2)

Compound Name

N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)pyridin-3-yl]-3,4-difluorobenzamide

IUPAC name

N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)pyridin-3-yl]-34-difluorobenzamide

SMILES

O=C(c(cc1)cc(F)c1F)Nc(cc1)cnc1N(CCN1C2CCCCC2)C1=O

InChI

InChI=1S/C21H22F2N4O2/c22-17-8-6-14(12-18(17)23)20(28)25-15-7-9-19(24-13-15)27-11-10-26(21(27)29)16-4-2-1-3-5-16/h6-9,12-13,16H,1-5,10-11H2,(H,25,28)

InChI Key

HDOUDRHEGXYQER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29024087

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.684

Distribution Coefficient, logD

4.665

Water Solubility, LogSw

-4.45

Polar Surface Area

51.242

Acid Dissociation Constant (pKa)

8.75

Base Dissociation Constant (pKb)

2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

T396-1531 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with T396-1531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T396-1531?
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What is the minimum amount of T396-1531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T396-1531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T396-1531
  • 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 T396-1531 available by request