C130-0151 Screening compound: 4-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(trifluoromethyl)pyrimidin-2-amine

C130-0151 Screening compound: 4-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(trifluoromethyl)pyrimidin-2-amine
C130-0151 Screening compound: 4-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(trifluoromethyl)pyrimidin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C130-0151
4-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(trifluoromethyl)pyrimidin-2-amine

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

C130-0151

Molecular Formula

C21H19ClF3N3O2 (C21 H19 ClF3 N3 O2)

Compound Name

4-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(trifluoromethyl)pyrimidin-2-amine

IUPAC name

4-(4-chlorophenyl)-N-[2-(34-dimethoxyphenyl)ethyl]-6-(trifluoromethyl)pyrimidin-2-amine

SMILES

COc(ccc(CCNc1nc(C(F)(F)F)cc(-c(cc2)ccc2Cl)n1)c1)c1OC

InChI

InChI=1S/C21H19ClF3N3O2/c1-29-17-8-3-13(11-18(17)30-2)9-10-26-20-27-16(12-19(28-20)21(23,24)25)14-4-6-15(22)7-5-14/h3-8,11-12H,9-10H2,1-2H3,(H,26,27,28)

InChI Key

QWDFDEAJIWHMPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06164294

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.85

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.475

Distribution Coefficient, logD

5.475

Water Solubility, LogSw

-6.14

Polar Surface Area

45.009

Acid Dissociation Constant (pKa)

17.07

Base Dissociation Constant (pKb)

3.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C130-0151 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Human Kinases Annotated Library (2415 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C130-0151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C130-0151?
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What is the minimum amount of C130-0151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C130-0151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C130-0151
  • 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 C130-0151 available by request