E955-0843 Screening compound: tert-butyl 4-[1-(2,4-difluorophenyl)-4-{[2-(pyrrolidin-1-yl)ethyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate

E955-0843 Screening compound: tert-butyl 4-[1-(2,4-difluorophenyl)-4-{[2-(pyrrolidin-1-yl)ethyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate
E955-0843 Screening compound: tert-butyl 4-[1-(2,4-difluorophenyl)-4-{[2-(pyrrolidin-1-yl)ethyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E955-0843
tert-butyl 4-[1-(2,4-difluorophenyl)-4-{[2-(pyrrolidin-1-yl)ethyl]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

E955-0843

Molecular Formula

C26H35F2N5O3 (C26 H35 F2 N5 O3)

Compound Name

tert-butyl 4-[1-(2,4-difluorophenyl)-4-{[2-(pyrrolidin-1-yl)ethyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate

IUPAC name

tert-butyl 4-[1-(24-difluorophenyl)-4-{[2-(pyrrolidin-1-yl)ethyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate

SMILES

CC(C)(C)OC(N(CC1)CCC1c(n(-c(ccc(F)c1)c1F)nc1)c1C(NCCN1CCCC1)=O)=O

InChI

InChI=1S/C26H35F2N5O3/c1-26(2,3)36-25(35)32-13-8-18(9-14-32)23-20(24(34)29-10-15-31-11-4-5-12-31)17-30-33(23)22-7-6-19(27)16-21(22)28/h6-7,16-18H,4-5,8-15H2,1-3H3,(H,29,34)

InChI Key

WUWLSNJMJHRLEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14931240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.59

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

4.710

Distribution Coefficient, logD

3.302

Water Solubility, LogSw

-4.25

Polar Surface Area

63.445

Acid Dissociation Constant (pKa)

12.75

Base Dissociation Constant (pKb)

8.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.70

E955-0843 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with E955-0843 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E955-0843?
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What is the minimum amount of E955-0843 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E955-0843
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E955-0843
  • 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 E955-0843 available by request