C130-0104 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine

C130-0104 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine
C130-0104 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C130-0104
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenyl)-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

C130-0104

Molecular Formula

C21H19F4N3O2 (C21 H19 F4 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(CCNc1nc(C(F)(F)F)cc(-c(cc2)ccc2F)n1)c1)c1OC

InChI

InChI=1S/C21H19F4N3O2/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

NORYMXXHSPGPNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06164287

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.39

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

4.909

Distribution Coefficient, logD

4.909

Water Solubility, LogSw

-4.65

Polar Surface Area

45.009

Acid Dissociation Constant (pKa)

17.07

Base Dissociation Constant (pKb)

2.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C130-0104 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Human Kinases Annotated Library (2415 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C130-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C130-0104?
Check Price and Availability of C130-0104, 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 C130-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C130-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C130-0104
  • 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 C130-0104 available by request