C130-0339 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine

C130-0339 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
C130-0339 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C130-0339
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-methoxyphenyl)-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

C130-0339

Molecular Formula

C22H22F3N3O3 (C22 H22 F3 N3 O3)

Compound Name

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

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine

SMILES

COc1cccc(-c2cc(C(F)(F)F)nc(NCCc(cc3)cc(OC)c3OC)n2)c1

InChI

InChI=1S/C22H22F3N3O3/c1-29-16-6-4-5-15(12-16)17-13-20(22(23,24)25)28-21(27-17)26-10-9-14-7-8-18(30-2)19(11-14)31-3/h4-8,11-13H,9-10H2,1-3H3,(H,26,27,28)

InChI Key

QXDIOTJNGGHLOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06164334

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.818

Distribution Coefficient, logD

4.818

Water Solubility, LogSw

-4.63

Polar Surface Area

52.553

Acid Dissociation Constant (pKa)

17.07

Base Dissociation Constant (pKb)

4.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C130-0339 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C130-0339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C130-0339?
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What is the minimum amount of C130-0339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C130-0339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C130-0339
  • 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 C130-0339 available by request