E951-0856 Screening compound: tert-butyl 4-[1-(4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate

E951-0856 Screening compound: tert-butyl 4-[1-(4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
E951-0856 Screening compound: tert-butyl 4-[1-(4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E951-0856
tert-butyl 4-[1-(4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)-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

E951-0856

Molecular Formula

C26H37N5O3 (C26 H37 N5 O3)

Compound Name

tert-butyl 4-[1-(4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate

IUPAC name

tert-butyl 4-[1-(4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate

SMILES

CC(C)(C)OC(N(CC1)CCC1c(n(-c1ccc(C)cc1)nc1)c1C(N1CCN(C)CC1)=O)=O

InChI

InChI=1S/C26H37N5O3/c1-19-6-8-21(9-7-19)31-23(20-10-12-30(13-11-20)25(33)34-26(2,3)4)22(18-27-31)24(32)29-16-14-28(5)15-17-29/h6-9,18,20H,10-17H2,1-5H3

InChI Key

OFVQTNYMUMLSBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14930520

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.413

Distribution Coefficient, logD

4.282

Water Solubility, LogSw

-4.20

Polar Surface Area

55.268

Acid Dissociation Constant (pKa)

22.01

Base Dissociation Constant (pKb)

6.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.70

E951-0856 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with E951-0856 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E951-0856?
Check Price and Availability of E951-0856, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E951-0856 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E951-0856
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E951-0856
  • 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 E951-0856 available by request