E955-0669 Screening compound: tert-butyl 4-[1-(4-chlorophenyl)-4-[(2,5-dichlorophenyl)carbamoyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate

E955-0669 Screening compound: tert-butyl 4-[1-(4-chlorophenyl)-4-[(2,5-dichlorophenyl)carbamoyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate
E955-0669 Screening compound: tert-butyl 4-[1-(4-chlorophenyl)-4-[(2,5-dichlorophenyl)carbamoyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E955-0669
tert-butyl 4-[1-(4-chlorophenyl)-4-[(2,5-dichlorophenyl)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

E955-0669

Molecular Formula

C26H27Cl3N4O3 (C26 H27 Cl3 N4 O3)

Compound Name

tert-butyl 4-[1-(4-chlorophenyl)-4-[(2,5-dichlorophenyl)carbamoyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate

IUPAC name

tert-butyl 4-[1-(4-chlorophenyl)-4-[(25-dichlorophenyl)carbamoyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate

SMILES

CC(C)(C)OC(N(CC1)CCC1c(n(-c(cc1)ccc1Cl)nc1)c1C(Nc(cc(cc1)Cl)c1Cl)=O)=O

InChI

InChI=1S/C26H27Cl3N4O3/c1-26(2,3)36-25(35)32-12-10-16(11-13-32)23-20(15-30-33(23)19-7-4-17(27)5-8-19)24(34)31-22-14-18(28)6-9-21(22)29/h4-9,14-16H,10-13H2,1-3H3,(H,31,34)

InChI Key

SPLQYJFPWHBSHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14931160

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

549.88

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

7.600

Distribution Coefficient, logD

7.426

Water Solubility, LogSw

-6.46

Polar Surface Area

57.536

Acid Dissociation Constant (pKa)

7.71

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 E955-0669 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E955-0669?
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What is the minimum amount of E955-0669 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E955-0669
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E955-0669
  • 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 E955-0669 available by request