E951-0486 Screening compound: tert-butyl 4-[1-(4-chlorophenyl)-4-[(3-methylbutyl)carbamoyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate

E951-0486 Screening compound: tert-butyl 4-[1-(4-chlorophenyl)-4-[(3-methylbutyl)carbamoyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate
E951-0486 Screening compound: tert-butyl 4-[1-(4-chlorophenyl)-4-[(3-methylbutyl)carbamoyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E951-0486
tert-butyl 4-[1-(4-chlorophenyl)-4-[(3-methylbutyl)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

E951-0486

Molecular Formula

C25H35ClN4O3 (C25 H35 ClN4 O3)

Compound Name

tert-butyl 4-[1-(4-chlorophenyl)-4-[(3-methylbutyl)carbamoyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate

IUPAC name

tert-butyl 4-[1-(4-chlorophenyl)-4-[(3-methylbutyl)carbamoyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate

SMILES

CC(C)CCNC(c1c(C(CC2)CCN2C(OC(C)(C)C)=O)n(-c(cc2)ccc2Cl)nc1)=O

InChI

InChI=1S/C25H35ClN4O3/c1-17(2)10-13-27-23(31)21-16-28-30(20-8-6-19(26)7-9-20)22(21)18-11-14-29(15-12-18)24(32)33-25(3,4)5/h6-9,16-18H,10-15H2,1-5H3,(H,27,31)

InChI Key

KRRCRTGDELHKRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14930429

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.03

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.534

Distribution Coefficient, logD

6.534

Water Solubility, LogSw

-6.20

Polar Surface Area

59.669

Acid Dissociation Constant (pKa)

13.15

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.00

References: we are preparing a list of scientific research reports with E951-0486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E951-0486?
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What is the minimum amount of E951-0486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E951-0486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E951-0486
  • 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 E951-0486 available by request