E955-1583 Screening compound: tert-butyl 4-{4-[(4-chlorophenyl)carbamoyl]-1-(3-fluorophenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate

E955-1583 Screening compound: tert-butyl 4-{4-[(4-chlorophenyl)carbamoyl]-1-(3-fluorophenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate
E955-1583 Screening compound: tert-butyl 4-{4-[(4-chlorophenyl)carbamoyl]-1-(3-fluorophenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E955-1583
tert-butyl 4-{4-[(4-chlorophenyl)carbamoyl]-1-(3-fluorophenyl)-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

E955-1583

Molecular Formula

C26H28ClFN4O3 (C26 H28 ClFN4 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)OC(N(CC1)CCC1c(n(-c1cc(F)ccc1)nc1)c1C(Nc(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C26H28ClFN4O3/c1-26(2,3)35-25(34)31-13-11-17(12-14-31)23-22(24(33)30-20-9-7-18(27)8-10-20)16-29-32(23)21-6-4-5-19(28)15-21/h4-10,15-17H,11-14H2,1-3H3,(H,30,33)

InChI Key

LIRALXCSNRLKDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14931490

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.98

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

6.614

Distribution Coefficient, logD

6.612

Water Solubility, LogSw

-6.26

Polar Surface Area

58.234

Acid Dissociation Constant (pKa)

9.67

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 E955-1583 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E955-1583?
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What is the minimum amount of E955-1583 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E955-1583
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E955-1583
  • 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 E955-1583 available by request