E955-2363 Screening compound: tert-butyl 4-[1-(2,4-dimethylphenyl)-4-{[4-(trifluoromethoxy)phenyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate

E955-2363 Screening compound: tert-butyl 4-[1-(2,4-dimethylphenyl)-4-{[4-(trifluoromethoxy)phenyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate
E955-2363 Screening compound: tert-butyl 4-[1-(2,4-dimethylphenyl)-4-{[4-(trifluoromethoxy)phenyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E955-2363
tert-butyl 4-[1-(2,4-dimethylphenyl)-4-{[4-(trifluoromethoxy)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

E955-2363

Molecular Formula

C29H33F3N4O4 (C29 H33 F3 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)OC(N(CC1)CCC1c(n(-c1c(C)cc(C)cc1)nc1)c1C(Nc(cc1)ccc1OC(F)(F)F)=O)=O

InChI

InChI=1S/C29H33F3N4O4/c1-18-6-11-24(19(2)16-18)36-25(20-12-14-35(15-13-20)27(38)40-28(3,4)5)23(17-33-36)26(37)34-21-7-9-22(10-8-21)39-29(30,31)32/h6-11,16-17,20H,12-15H2,1-5H3,(H,34,37)

InChI Key

QURUARWNQXNVBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14931786

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

558.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

8.240

Distribution Coefficient, logD

8.240

Water Solubility, LogSw

-5.54

Polar Surface Area

63.870

Acid Dissociation Constant (pKa)

11.15

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.40

References: we are preparing a list of scientific research reports with E955-2363 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E955-2363?
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What is the minimum amount of E955-2363 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E955-2363
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E955-2363
  • 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 E955-2363 available by request