C429-0585 Screening compound: tert-butyl 4-{4-[(3,4-dimethoxyphenyl)carbamoyl]-1-phenyl-1H-pyrazol-5-yl}piperidine-1-carboxylate

C429-0585 Screening compound: tert-butyl 4-{4-[(3,4-dimethoxyphenyl)carbamoyl]-1-phenyl-1H-pyrazol-5-yl}piperidine-1-carboxylate
C429-0585 Screening compound: tert-butyl 4-{4-[(3,4-dimethoxyphenyl)carbamoyl]-1-phenyl-1H-pyrazol-5-yl}piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C429-0585
tert-butyl 4-{4-[(3,4-dimethoxyphenyl)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

C429-0585

Molecular Formula

C28H34N4O5 (C28 H34 N4 O5)

Compound Name

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

IUPAC name

tert-butyl 4-{4-[(34-dimethoxyphenyl)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(OC)c1OC)=O)=O

InChI

InChI=1S/C28H34N4O5/c1-28(2,3)37-27(34)31-15-13-19(14-16-31)25-22(18-29-32(25)21-9-7-6-8-10-21)26(33)30-20-11-12-23(35-4)24(17-20)36-5/h6-12,17-19H,13-16H2,1-5H3,(H,30,33)

InChI Key

XRIXPJCFZZSNFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14756227

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.6

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

5.363

Distribution Coefficient, logD

5.362

Water Solubility, LogSw

-5.22

Polar Surface Area

73.495

Acid Dissociation Constant (pKa)

10.17

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

References: we are preparing a list of scientific research reports with C429-0585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C429-0585?
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What is the minimum amount of C429-0585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C429-0585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C429-0585
  • 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 C429-0585 available by request