E951-0957 Screening compound: tert-butyl 4-{1-phenyl-4-[(3-phenyl-1-pyrrolidinyl)carbonyl]-1H-pyrazol-5-yl}tetrahydro-1(2H)-pyridinecarboxylate

E951-0957 Screening compound: tert-butyl 4-{1-phenyl-4-[(3-phenyl-1-pyrrolidinyl)carbonyl]-1H-pyrazol-5-yl}tetrahydro-1(2H)-pyridinecarboxylate
E951-0957 Screening compound: tert-butyl 4-{1-phenyl-4-[(3-phenyl-1-pyrrolidinyl)carbonyl]-1H-pyrazol-5-yl}tetrahydro-1(2H)-pyridinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E951-0957
tert-butyl 4-{1-phenyl-4-[(3-phenyl-1-pyrrolidinyl)carbonyl]-1H-pyrazol-5-yl}tetrahydro-1(2H)-pyridinecarboxylate

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

E951-0957

Molecular Formula

C30H36N4O3 (C30 H36 N4 O3)

Compound Name

tert-butyl 4-{1-phenyl-4-[(3-phenyl-1-pyrrolidinyl)carbonyl]-1H-pyrazol-5-yl}tetrahydro-1(2H)-pyridinecarboxylate

IUPAC name

tert-butyl 4-[1-phenyl-4-(3-phenylpyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate

SMILES

CC(C)(C)OC(N(CC1)CCC1c(n(-c1ccccc1)nc1)c1C(N(CC1)CC1c1ccccc1)=O)=O

InChI

InChI=1S/C30H36N4O3/c1-30(2,3)37-29(36)32-17-14-23(15-18-32)27-26(20-31-34(27)25-12-8-5-9-13-25)28(35)33-19-16-24(21-33)22-10-6-4-7-11-22/h4-13,20,23-24H,14-19,21H2,1-3H3/t24-/m1/s1

InChI Key

QWGLKBBYBGGOLB-XMMPIXPASA-N

MDL Number (MFCD)

MFCD14771966

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.412

Distribution Coefficient, logD

6.412

Water Solubility, LogSw

-5.65

Polar Surface Area

51.819

Acid Dissociation Constant (pKa)

22.01

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.33

References: we are preparing a list of scientific research reports with E951-0957 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E951-0957?
Check Price and Availability of E951-0957, 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 E951-0957 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E951-0957
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E951-0957
  • 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 E951-0957 available by request