C614-5457 Screening compound: tert-butyl 4-[2-(4-methoxyphenyl)-6-{[3-(trifluoromethyl)phenyl]carbamoyl}pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate

C614-5457 Screening compound: tert-butyl 4-[2-(4-methoxyphenyl)-6-{[3-(trifluoromethyl)phenyl]carbamoyl}pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
C614-5457 Screening compound: tert-butyl 4-[2-(4-methoxyphenyl)-6-{[3-(trifluoromethyl)phenyl]carbamoyl}pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-5457
tert-butyl 4-[2-(4-methoxyphenyl)-6-{[3-(trifluoromethyl)phenyl]carbamoyl}pyrazolo[1,5-a]pyrimidin-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

C614-5457

Molecular Formula

C31H32F3N5O4 (C31 H32 F3 N5 O4)

Compound Name

tert-butyl 4-[2-(4-methoxyphenyl)-6-{[3-(trifluoromethyl)phenyl]carbamoyl}pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate

IUPAC name

tert-butyl 4-[2-(4-methoxyphenyl)-6-{[3-(trifluoromethyl)phenyl]carbamoyl}pyrazolo[15-a]pyrimidin-5-yl]piperidine-1-carboxylate

SMILES

CC(C)(C)OC(N(CC1)CCC1c1nc2cc(-c(cc3)ccc3OC)nn2cc1C(Nc1cccc(C(F)(F)F)c1)=O)=O

InChI

InChI=1S/C31H32F3N5O4/c1-30(2,3)43-29(41)38-14-12-20(13-15-38)27-24(28(40)35-22-7-5-6-21(16-22)31(32,33)34)18-39-26(36-27)17-25(37-39)19-8-10-23(42-4)11-9-19/h5-11,16-18,20H,12-15H2,1-4H3,(H,35,40)

InChI Key

YTGARQPQJTZCRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14776559

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

595.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

7.490

Distribution Coefficient, logD

7.462

Water Solubility, LogSw

-5.65

Polar Surface Area

72.878

Acid Dissociation Constant (pKa)

8.57

Base Dissociation Constant (pKb)

3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.50

References: we are preparing a list of scientific research reports with C614-5457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-5457?
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What is the minimum amount of C614-5457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-5457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-5457
  • 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 C614-5457 available by request