C162-0018 Screening compound: 6-[4-(difluoromethyl)-6-(4-methylphenyl)pyrimidin-2-yl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane

C162-0018 Screening compound: 6-[4-(difluoromethyl)-6-(4-methylphenyl)pyrimidin-2-yl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
C162-0018 Screening compound: 6-[4-(difluoromethyl)-6-(4-methylphenyl)pyrimidin-2-yl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane alternative view

Chemical Structure Depiction of ChemDiv screening compound C162-0018
6-[4-(difluoromethyl)-6-(4-methylphenyl)pyrimidin-2-yl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane

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

C162-0018

Molecular Formula

C22H27F2N3 (C22 H27 F2 N3)

Compound Name

6-[4-(difluoromethyl)-6-(4-methylphenyl)pyrimidin-2-yl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane

IUPAC name

6-[4-(difluoromethyl)-6-(4-methylphenyl)pyrimidin-2-yl]-133-trimethyl-6-azabicyclo[3.2.1]octane

SMILES

CC(C1)(C2)CC(C)(C)CC1N2c1nc(-c2ccc(C)cc2)cc(C(F)F)n1

InChI

InChI=1S/C22H27F2N3/c1-14-5-7-15(8-6-14)17-9-18(19(23)24)26-20(25-17)27-13-22(4)11-16(27)10-21(2,3)12-22/h5-9,16,19H,10-13H2,1-4H3

InChI Key

UMQLOZXZOBPZCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06164373

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.47

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.967

Distribution Coefficient, logD

5.967

Water Solubility, LogSw

-5.68

Polar Surface Area

20.603

Acid Dissociation Constant (pKa)

16.66

Base Dissociation Constant (pKb)

1.53

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

54.50

C162-0018 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with C162-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C162-0018?
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What is the minimum amount of C162-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C162-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C162-0018
  • 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 C162-0018 available by request