C614-5229 Screening compound: tert-butyl 4-[1-(3-chloro-4-methylphenyl)-4-[(2-ethylphenyl)carbamoyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate

C614-5229 Screening compound: tert-butyl 4-[1-(3-chloro-4-methylphenyl)-4-[(2-ethylphenyl)carbamoyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate
C614-5229 Screening compound: tert-butyl 4-[1-(3-chloro-4-methylphenyl)-4-[(2-ethylphenyl)carbamoyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-5229
tert-butyl 4-[1-(3-chloro-4-methylphenyl)-4-[(2-ethylphenyl)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

C614-5229

Molecular Formula

C29H35ClN4O3 (C29 H35 ClN4 O3)

Compound Name

tert-butyl 4-[1-(3-chloro-4-methylphenyl)-4-[(2-ethylphenyl)carbamoyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate

IUPAC name

tert-butyl 4-[1-(3-chloro-4-methylphenyl)-4-[(2-ethylphenyl)carbamoyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate

SMILES

CCc(cccc1)c1NC(c1c(C(CC2)CCN2C(OC(C)(C)C)=O)n(-c2cc(Cl)c(C)cc2)nc1)=O

InChI

InChI=1S/C29H35ClN4O3/c1-6-20-9-7-8-10-25(20)32-27(35)23-18-31-34(22-12-11-19(2)24(30)17-22)26(23)21-13-15-33(16-14-21)28(36)37-29(3,4)5/h7-12,17-18,21H,6,13-16H2,1-5H3,(H,32,35)

InChI Key

GTDVVRYXSIWNII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14776512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.07

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

7.897

Distribution Coefficient, logD

7.897

Water Solubility, LogSw

-6.42

Polar Surface Area

57.536

Acid Dissociation Constant (pKa)

11.68

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.40

References: we are preparing a list of scientific research reports with C614-5229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-5229?
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What is the minimum amount of C614-5229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-5229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-5229
  • 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 C614-5229 available by request