G612-0940 Screening compound: tert-butyl 4-[1-(4-chlorophenyl)-4-{[2-(trifluoromethyl)phenyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate

G612-0940 Screening compound: tert-butyl 4-[1-(4-chlorophenyl)-4-{[2-(trifluoromethyl)phenyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate
G612-0940 Screening compound: tert-butyl 4-[1-(4-chlorophenyl)-4-{[2-(trifluoromethyl)phenyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G612-0940
tert-butyl 4-[1-(4-chlorophenyl)-4-{[2-(trifluoromethyl)phenyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate

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

G612-0940

Molecular Formula

C27H28ClF3N4O3 (C27 H28 ClF3 N4 O3)

Compound Name

tert-butyl 4-[1-(4-chlorophenyl)-4-{[2-(trifluoromethyl)phenyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate

IUPAC name

tert-butyl 4-[1-(4-chlorophenyl)-4-{[2-(trifluoromethyl)phenyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate

SMILES

CC(C)(C)OC(N(CC1)CCC1c(n(-c(cc1)ccc1Cl)nc1)c1C(Nc1c(C(F)(F)F)cccc1)=O)=O

InChI

InChI=1S/C27H28ClF3N4O3/c1-26(2,3)38-25(37)34-14-12-17(13-15-34)23-20(16-32-35(23)19-10-8-18(28)9-11-19)24(36)33-22-7-5-4-6-21(22)27(29,30)31/h4-11,16-17H,12-15H2,1-3H3,(H,33,36)

InChI Key

XMBSOKVLHSLGKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15022940

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.99

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.258

Distribution Coefficient, logD

7.258

Water Solubility, LogSw

-6.30

Polar Surface Area

57.536

Acid Dissociation Constant (pKa)

11.23

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

References: we are preparing a list of scientific research reports with G612-0940 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G612-0940?
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What is the minimum amount of G612-0940 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G612-0940
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G612-0940
  • 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 G612-0940 available by request