E955-0831 Screening compound: tert-butyl 4-[1-(2,4-difluorophenyl)-4-[(2-methylphenyl)carbamoyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate

E955-0831 Screening compound: tert-butyl 4-[1-(2,4-difluorophenyl)-4-[(2-methylphenyl)carbamoyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate
E955-0831 Screening compound: tert-butyl 4-[1-(2,4-difluorophenyl)-4-[(2-methylphenyl)carbamoyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E955-0831
tert-butyl 4-[1-(2,4-difluorophenyl)-4-[(2-methylphenyl)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

E955-0831

Molecular Formula

C27H30F2N4O3 (C27 H30 F2 N4 O3)

Compound Name

tert-butyl 4-[1-(2,4-difluorophenyl)-4-[(2-methylphenyl)carbamoyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate

IUPAC name

tert-butyl 4-[1-(24-difluorophenyl)-4-[(2-methylphenyl)carbamoyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate

SMILES

CC(C)(C)OC(N(CC1)CCC1c(n(-c(ccc(F)c1)c1F)nc1)c1C(Nc1c(C)cccc1)=O)=O

InChI

InChI=1S/C27H30F2N4O3/c1-17-7-5-6-8-22(17)31-25(34)20-16-30-33(23-10-9-19(28)15-21(23)29)24(20)18-11-13-32(14-12-18)26(35)36-27(2,3)4/h5-10,15-16,18H,11-14H2,1-4H3,(H,31,34)

InChI Key

OQJXTKFCULTFSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14931232

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.56

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

5.925

Distribution Coefficient, logD

5.925

Water Solubility, LogSw

-5.39

Polar Surface Area

57.236

Acid Dissociation Constant (pKa)

11.23

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 E955-0831 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E955-0831?
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What is the minimum amount of E955-0831 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E955-0831
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E955-0831
  • 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 E955-0831 available by request