E951-0725 Screening compound: tert-butyl 4-[1-(3-chlorophenyl)-4-[({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)carbamoyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate

E951-0725 Screening compound: tert-butyl 4-[1-(3-chlorophenyl)-4-[({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)carbamoyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate
E951-0725 Screening compound: tert-butyl 4-[1-(3-chlorophenyl)-4-[({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)carbamoyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E951-0725
tert-butyl 4-[1-(3-chlorophenyl)-4-[({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)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

E951-0725

Molecular Formula

C34H44ClN5O3 (C34 H44 ClN5 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)OC(N(CC1)CCC1c(n(-c1cccc(Cl)c1)nc1)c1C(NCC1CCN(Cc2ccc(C)cc2)CC1)=O)=O

InChI

InChI=1S/C34H44ClN5O3/c1-24-8-10-26(11-9-24)23-38-16-12-25(13-17-38)21-36-32(41)30-22-37-40(29-7-5-6-28(35)20-29)31(30)27-14-18-39(19-15-27)33(42)43-34(2,3)4/h5-11,20,22,25,27H,12-19,21,23H2,1-4H3,(H,36,41)

InChI Key

NGIFSJODJPNWQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14930486

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

606.21

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.594

Distribution Coefficient, logD

4.873

Water Solubility, LogSw

-6.30

Polar Surface Area

63.289

Acid Dissociation Constant (pKa)

13.55

Base Dissociation Constant (pKb)

10.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with E951-0725 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E951-0725?
Check Price and Availability of E951-0725, 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 E951-0725 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E951-0725
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E951-0725
  • 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 E951-0725 available by request