E955-2139 Screening compound: tert-butyl 4-[1-(3-chloro-2-methylphenyl)-4-{[3-(trifluoromethyl)phenyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate

E955-2139 Screening compound: tert-butyl 4-[1-(3-chloro-2-methylphenyl)-4-{[3-(trifluoromethyl)phenyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate
E955-2139 Screening compound: tert-butyl 4-[1-(3-chloro-2-methylphenyl)-4-{[3-(trifluoromethyl)phenyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E955-2139
tert-butyl 4-[1-(3-chloro-2-methylphenyl)-4-{[3-(trifluoromethyl)phenyl]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

E955-2139

Molecular Formula

C28H30ClF3N4O3 (C28 H30 ClF3 N4 O3)

Compound Name

tert-butyl 4-[1-(3-chloro-2-methylphenyl)-4-{[3-(trifluoromethyl)phenyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate

IUPAC name

tert-butyl 4-[1-(3-chloro-2-methylphenyl)-4-{[3-(trifluoromethyl)phenyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate

SMILES

CC(C)(C)OC(N(CC1)CCC1c(n(-c1cccc(Cl)c1C)nc1)c1C(Nc1cc(C(F)(F)F)ccc1)=O)=O

InChI

InChI=1S/C28H30ClF3N4O3/c1-17-22(29)9-6-10-23(17)36-24(18-11-13-35(14-12-18)26(38)39-27(2,3)4)21(16-33-36)25(37)34-20-8-5-7-19(15-20)28(30,31)32/h5-10,15-16,18H,11-14H2,1-4H3,(H,34,37)

InChI Key

GGVUMDOOIDUMOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14931661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

563.02

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

8.025

Distribution Coefficient, logD

8.015

Water Solubility, LogSw

-6.43

Polar Surface Area

57.933

Acid Dissociation Constant (pKa)

9.07

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 E955-2139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E955-2139?
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What is the minimum amount of E955-2139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E955-2139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E955-2139
  • 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 E955-2139 available by request