C429-0581 Screening compound: tert-butyl 4-{4-[(3-chloro-4-methoxyphenyl)carbamoyl]-1-phenyl-1H-pyrazol-5-yl}piperidine-1-carboxylate

C429-0581 Screening compound: tert-butyl 4-{4-[(3-chloro-4-methoxyphenyl)carbamoyl]-1-phenyl-1H-pyrazol-5-yl}piperidine-1-carboxylate
C429-0581 Screening compound: tert-butyl 4-{4-[(3-chloro-4-methoxyphenyl)carbamoyl]-1-phenyl-1H-pyrazol-5-yl}piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C429-0581
tert-butyl 4-{4-[(3-chloro-4-methoxyphenyl)carbamoyl]-1-phenyl-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

C429-0581

Molecular Formula

C27H31ClN4O4 (C27 H31 ClN4 O4)

Compound Name

tert-butyl 4-{4-[(3-chloro-4-methoxyphenyl)carbamoyl]-1-phenyl-1H-pyrazol-5-yl}piperidine-1-carboxylate

IUPAC name

tert-butyl 4-{4-[(3-chloro-4-methoxyphenyl)carbamoyl]-1-phenyl-1H-pyrazol-5-yl}piperidine-1-carboxylate

SMILES

CC(C)(C)OC(N(CC1)CCC1c(n(-c1ccccc1)nc1)c1C(Nc(cc1)cc(Cl)c1OC)=O)=O

InChI

InChI=1S/C27H31ClN4O4/c1-27(2,3)36-26(34)31-14-12-18(13-15-31)24-21(17-29-32(24)20-8-6-5-7-9-20)25(33)30-19-10-11-23(35-4)22(28)16-19/h5-11,16-18H,12-15H2,1-4H3,(H,30,33)

InChI Key

FOAGXKRBMSMVAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14756224

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.02

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.338

Distribution Coefficient, logD

6.332

Water Solubility, LogSw

-6.06

Polar Surface Area

65.865

Acid Dissociation Constant (pKa)

9.27

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 C429-0581 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C429-0581?
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What is the minimum amount of C429-0581 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C429-0581
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C429-0581
  • 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 C429-0581 available by request