E951-0558 Screening compound: tert-butyl 4-[1-(4-chlorophenyl)-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate

E951-0558 Screening compound: tert-butyl 4-[1-(4-chlorophenyl)-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate
E951-0558 Screening compound: tert-butyl 4-[1-(4-chlorophenyl)-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E951-0558
tert-butyl 4-[1-(4-chlorophenyl)-4-[4-(3-methoxyphenyl)piperazine-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

E951-0558

Molecular Formula

C31H38ClN5O4 (C31 H38 ClN5 O4)

Compound Name

tert-butyl 4-[1-(4-chlorophenyl)-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate

IUPAC name

tert-butyl 4-[1-(4-chlorophenyl)-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate

SMILES

CC(C)(C)OC(N(CC1)CCC1c(n(-c(cc1)ccc1Cl)nc1)c1C(N(CC1)CCN1c1cc(OC)ccc1)=O)=O

InChI

InChI=1S/C31H38ClN5O4/c1-31(2,3)41-30(39)36-14-12-22(13-15-36)28-27(21-33-37(28)24-10-8-23(32)9-11-24)29(38)35-18-16-34(17-19-35)25-6-5-7-26(20-25)40-4/h5-11,20-22H,12-19H2,1-4H3

InChI Key

KFZMYKORWKXTAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14930444

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

580.13

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.510

Distribution Coefficient, logD

6.510

Water Solubility, LogSw

-6.27

Polar Surface Area

62.595

Acid Dissociation Constant (pKa)

22.01

Base Dissociation Constant (pKb)

2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.20

References: we are preparing a list of scientific research reports with E951-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E951-0558?
Check Price and Availability of E951-0558, 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 E951-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E951-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E951-0558
  • 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 E951-0558 available by request