C429-0662 Screening compound: tert-butyl 4-{4-[(2-carbamoylphenyl)carbamoyl]-1-(4-methylphenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate

C429-0662 Screening compound: tert-butyl 4-{4-[(2-carbamoylphenyl)carbamoyl]-1-(4-methylphenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate
C429-0662 Screening compound: tert-butyl 4-{4-[(2-carbamoylphenyl)carbamoyl]-1-(4-methylphenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C429-0662
tert-butyl 4-{4-[(2-carbamoylphenyl)carbamoyl]-1-(4-methylphenyl)-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

C429-0662

Molecular Formula

C28H33N5O4 (C28 H33 N5 O4)

Compound Name

tert-butyl 4-{4-[(2-carbamoylphenyl)carbamoyl]-1-(4-methylphenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate

IUPAC name

tert-butyl 4-{4-[(2-carbamoylphenyl)carbamoyl]-1-(4-methylphenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate

SMILES

CC(C)(C)OC(N(CC1)CCC1c(n(-c1ccc(C)cc1)nc1)c1C(Nc(cccc1)c1C(N)=O)=O)=O

InChI

InChI=1S/C28H33N5O4/c1-18-9-11-20(12-10-18)33-24(19-13-15-32(16-14-19)27(36)37-28(2,3)4)22(17-30-33)26(35)31-23-8-6-5-7-21(23)25(29)34/h5-12,17,19H,13-16H2,1-4H3,(H2,29,34)(H,31,35)

InChI Key

QZYWBKKYIYSJQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14756250

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.158

Distribution Coefficient, logD

5.156

Water Solubility, LogSw

-4.87

Polar Surface Area

91.595

Acid Dissociation Constant (pKa)

9.64

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

References: we are preparing a list of scientific research reports with C429-0662 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C429-0662?
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What is the minimum amount of C429-0662 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C429-0662
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C429-0662
  • 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 C429-0662 available by request