C130-0135 Screening compound: 6-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane

C130-0135 Screening compound: 6-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
C130-0135 Screening compound: 6-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane alternative view

Chemical Structure Depiction of ChemDiv screening compound C130-0135
6-[4-(4-chlorophenyl)-6-(trifluoromethyl)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

C130-0135

Molecular Formula

C21H23ClF3N3 (C21 H23 ClF3 N3)

Compound Name

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

IUPAC name

6-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-133-trimethyl-6-azabicyclo[3.2.1]octane

SMILES

CC(C1)(C2)CC(C)(C)CC1N2c1nc(C(F)(F)F)cc(-c(cc2)ccc2Cl)n1

InChI

InChI=1S/C21H23ClF3N3/c1-19(2)9-15-10-20(3,11-19)12-28(15)18-26-16(8-17(27-18)21(23,24)25)13-4-6-14(22)7-5-13/h4-8,15H,9-12H2,1-3H3

InChI Key

QKCZBQGNBAWCDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06164289

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.88

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

6.731

Distribution Coefficient, logD

6.731

Water Solubility, LogSw

-6.66

Polar Surface Area

20.603

Acid Dissociation Constant (pKa)

16.66

Base Dissociation Constant (pKb)

2.56

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.40

C130-0135 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C130-0135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C130-0135?
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What is the minimum amount of C130-0135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C130-0135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C130-0135
  • 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 C130-0135 available by request