T396-0302 Screening compound: N-[6-(2-oxo-3-phenylimidazolidin-1-yl)pyridin-3-yl]-3-(trifluoromethyl)benzamide

T396-0302 Screening compound: N-[6-(2-oxo-3-phenylimidazolidin-1-yl)pyridin-3-yl]-3-(trifluoromethyl)benzamide
T396-0302 Screening compound: N-[6-(2-oxo-3-phenylimidazolidin-1-yl)pyridin-3-yl]-3-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T396-0302
N-[6-(2-oxo-3-phenylimidazolidin-1-yl)pyridin-3-yl]-3-(trifluoromethyl)benzamide

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

T396-0302

Molecular Formula

C22H17F3N4O2 (C22 H17 F3 N4 O2)

Compound Name

N-[6-(2-oxo-3-phenylimidazolidin-1-yl)pyridin-3-yl]-3-(trifluoromethyl)benzamide

IUPAC name

N-[6-(2-oxo-3-phenylimidazolidin-1-yl)pyridin-3-yl]-3-(trifluoromethyl)benzamide

SMILES

O=C(c1cccc(C(F)(F)F)c1)Nc(cc1)cnc1N(CCN1c2ccccc2)C1=O

InChI

InChI=1S/C22H17F3N4O2/c23-22(24,25)16-6-4-5-15(13-16)20(30)27-17-9-10-19(26-14-17)29-12-11-28(21(29)31)18-7-2-1-3-8-18/h1-10,13-14H,11-12H2,(H,27,30)

InChI Key

BBOMQFMVZADHCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29023456

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.737

Distribution Coefficient, logD

4.736

Water Solubility, LogSw

-4.61

Polar Surface Area

51.409

Acid Dissociation Constant (pKa)

10.05

Base Dissociation Constant (pKb)

1.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

T396-0302 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with T396-0302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T396-0302?
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What is the minimum amount of T396-0302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T396-0302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T396-0302
  • 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 T396-0302 available by request