C162-0032 Screening compound: 4-(difluoromethyl)-N-[(furan-2-yl)methyl]-6-(4-methylphenyl)pyrimidin-2-amine

C162-0032 Screening compound: 4-(difluoromethyl)-N-[(furan-2-yl)methyl]-6-(4-methylphenyl)pyrimidin-2-amine
C162-0032 Screening compound: 4-(difluoromethyl)-N-[(furan-2-yl)methyl]-6-(4-methylphenyl)pyrimidin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C162-0032
4-(difluoromethyl)-N-[(furan-2-yl)methyl]-6-(4-methylphenyl)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

C162-0032

Molecular Formula

C17H15F2N3O (C17 H15 F2 N3 O)

Compound Name

4-(difluoromethyl)-N-[(furan-2-yl)methyl]-6-(4-methylphenyl)pyrimidin-2-amine

IUPAC name

4-(difluoromethyl)-N-[(furan-2-yl)methyl]-6-(4-methylphenyl)pyrimidin-2-amine

SMILES

Cc(cc1)ccc1-c1cc(C(F)F)nc(NCc2ccco2)n1

InChI

InChI=1S/C17H15F2N3O/c1-11-4-6-12(7-5-11)14-9-15(16(18)19)22-17(21-14)20-10-13-3-2-8-23-13/h2-9,16H,10H2,1H3,(H,20,21,22)

InChI Key

JSGMNYRQZGOLNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05026991

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.32

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.836

Distribution Coefficient, logD

4.836

Water Solubility, LogSw

-4.56

Polar Surface Area

37.656

Acid Dissociation Constant (pKa)

16.38

Base Dissociation Constant (pKb)

4.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

C162-0032 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with C162-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C162-0032?
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What is the minimum amount of C162-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C162-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C162-0032
  • 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 C162-0032 available by request