E955-0844 Screening compound: tert-butyl 4-[1-(2,4-difluorophenyl)-4-{[3-(4-ethylpiperazin-1-yl)propyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate

E955-0844 Screening compound: tert-butyl 4-[1-(2,4-difluorophenyl)-4-{[3-(4-ethylpiperazin-1-yl)propyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate
E955-0844 Screening compound: tert-butyl 4-[1-(2,4-difluorophenyl)-4-{[3-(4-ethylpiperazin-1-yl)propyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E955-0844
tert-butyl 4-[1-(2,4-difluorophenyl)-4-{[3-(4-ethylpiperazin-1-yl)propyl]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

E955-0844

Molecular Formula

C29H42F2N6O3 (C29 H42 F2 N6 O3)

Compound Name

tert-butyl 4-[1-(2,4-difluorophenyl)-4-{[3-(4-ethylpiperazin-1-yl)propyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate

IUPAC name

tert-butyl 4-[1-(24-difluorophenyl)-4-{[3-(4-ethylpiperazin-1-yl)propyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate

SMILES

CCN1CCN(CCCNC(c2c(C(CC3)CCN3C(OC(C)(C)C)=O)n(-c(ccc(F)c3)c3F)nc2)=O)CC1

InChI

InChI=1S/C29H42F2N6O3/c1-5-34-15-17-35(18-16-34)12-6-11-32-27(38)23-20-33-37(25-8-7-22(30)19-24(25)31)26(23)21-9-13-36(14-10-21)28(39)40-29(2,3)4/h7-8,19-21H,5-6,9-18H2,1-4H3,(H,32,38)

InChI Key

RFBIGFVJDWPUBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14931241

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

560.69

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.349

Distribution Coefficient, logD

3.401

Water Solubility, LogSw

-4.04

Polar Surface Area

66.616

Acid Dissociation Constant (pKa)

14.47

Base Dissociation Constant (pKb)

8.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.10

References: we are preparing a list of scientific research reports with E955-0844 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E955-0844?
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What is the minimum amount of E955-0844 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E955-0844
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E955-0844
  • 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 E955-0844 available by request