C429-0582 Screening compound: tert-butyl 4-{4-[(2,4-dibromophenyl)carbamoyl]-1-phenyl-1H-pyrazol-5-yl}piperidine-1-carboxylate

C429-0582 Screening compound: tert-butyl 4-{4-[(2,4-dibromophenyl)carbamoyl]-1-phenyl-1H-pyrazol-5-yl}piperidine-1-carboxylate
C429-0582 Screening compound: tert-butyl 4-{4-[(2,4-dibromophenyl)carbamoyl]-1-phenyl-1H-pyrazol-5-yl}piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C429-0582
tert-butyl 4-{4-[(2,4-dibromophenyl)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

C429-0582

Molecular Formula

C26H28Br2N4O3 (C26 H28 Br2 N4 O3)

Compound Name

tert-butyl 4-{4-[(2,4-dibromophenyl)carbamoyl]-1-phenyl-1H-pyrazol-5-yl}piperidine-1-carboxylate

IUPAC name

tert-butyl 4-{4-[(24-dibromophenyl)carbamoyl]-1-phenyl-1H-pyrazol-5-yl}piperidine-1-carboxylate

SMILES

CC(C)(C)OC(N(CC1)CCC1c(n(-c1ccccc1)nc1)c1C(Nc(ccc(Br)c1)c1Br)=O)=O

InChI

InChI=1S/C26H28Br2N4O3/c1-26(2,3)35-25(34)31-13-11-17(12-14-31)23-20(16-29-32(23)19-7-5-4-6-8-19)24(33)30-22-10-9-18(27)15-21(22)28/h4-10,15-17H,11-14H2,1-3H3,(H,30,33)

InChI Key

OMQGFKLRJBOHIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14756225

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

604.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.118

Distribution Coefficient, logD

7.096

Water Solubility, LogSw

-5.49

Polar Surface Area

57.536

Acid Dissociation Constant (pKa)

8.70

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

References: we are preparing a list of scientific research reports with C429-0582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C429-0582?
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What is the minimum amount of C429-0582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C429-0582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C429-0582
  • 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 C429-0582 available by request