C130-0145 Screening compound: 4-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine

C130-0145 Screening compound: 4-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine
C130-0145 Screening compound: 4-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C130-0145
4-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-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

C130-0145

Molecular Formula

C18H12Cl2F3N3 (C18 H12 Cl2 F3 N3)

Compound Name

4-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine

IUPAC name

4-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine

SMILES

FC(c1cc(-c(cc2)ccc2Cl)nc(NCc(cc2)ccc2Cl)n1)(F)F

InChI

InChI=1S/C18H12Cl2F3N3/c19-13-5-1-11(2-6-13)10-24-17-25-15(9-16(26-17)18(21,22)23)12-3-7-14(20)8-4-12/h1-9H,10H2,(H,24,25,26)

InChI Key

OPTDFSYTYAHZHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06164293

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.21

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.382

Distribution Coefficient, logD

6.382

Water Solubility, LogSw

-6.85

Polar Surface Area

29.907

Acid Dissociation Constant (pKa)

15.28

Base Dissociation Constant (pKb)

3.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

C130-0145 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C130-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C130-0145?
Check Price and Availability of C130-0145, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C130-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C130-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C130-0145
  • 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 C130-0145 available by request