T396-1042 Screening compound: N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)pyridin-3-yl]-5-(trifluoromethyl)thiophene-2-carboxamide

T396-1042 Screening compound: N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)pyridin-3-yl]-5-(trifluoromethyl)thiophene-2-carboxamide
T396-1042 Screening compound: N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)pyridin-3-yl]-5-(trifluoromethyl)thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T396-1042
N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)pyridin-3-yl]-5-(trifluoromethyl)thiophene-2-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

T396-1042

Molecular Formula

C20H21F3N4O2S (C20 H21 F3 N4 O2 S)

Compound Name

N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)pyridin-3-yl]-5-(trifluoromethyl)thiophene-2-carboxamide

IUPAC name

N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)pyridin-3-yl]-5-(trifluoromethyl)thiophene-2-carboxamide

SMILES

O=C(c1ccc(C(F)(F)F)s1)Nc(cc1)cnc1N(CCN1C2CCCCC2)C1=O

InChI

InChI=1S/C20H21F3N4O2S/c21-20(22,23)16-8-7-15(30-16)18(28)25-13-6-9-17(24-12-13)27-11-10-26(19(27)29)14-4-2-1-3-5-14/h6-9,12,14H,1-5,10-11H2,(H,25,28)

InChI Key

DQQXHBWCXQAFBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29023572

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.47

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

5.476

Distribution Coefficient, logD

5.476

Water Solubility, LogSw

-5.38

Polar Surface Area

52.261

Acid Dissociation Constant (pKa)

11.67

Base Dissociation Constant (pKb)

2.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

T396-1042 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with T396-1042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T396-1042?
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What is the minimum amount of T396-1042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T396-1042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T396-1042
  • 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 T396-1042 available by request