E951-0116 Screening compound: tert-butyl 4-[1-(4-fluorophenyl)-4-[3-(4-methylphenyl)pyrrolidine-1-carbonyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate

E951-0116 Screening compound: tert-butyl 4-[1-(4-fluorophenyl)-4-[3-(4-methylphenyl)pyrrolidine-1-carbonyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate
E951-0116 Screening compound: tert-butyl 4-[1-(4-fluorophenyl)-4-[3-(4-methylphenyl)pyrrolidine-1-carbonyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E951-0116
tert-butyl 4-[1-(4-fluorophenyl)-4-[3-(4-methylphenyl)pyrrolidine-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

E951-0116

Molecular Formula

C31H37FN4O3 (C31 H37 FN4 O3)

Compound Name

tert-butyl 4-[1-(4-fluorophenyl)-4-[3-(4-methylphenyl)pyrrolidine-1-carbonyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate

IUPAC name

tert-butyl 4-[1-(4-fluorophenyl)-4-[3-(4-methylphenyl)pyrrolidine-1-carbonyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate

SMILES

CC(C)(C)OC(N(CC1)CCC1c(n(-c(cc1)ccc1F)nc1)c1C(N(CC1)CC1c1ccc(C)cc1)=O)=O

InChI

InChI=1S/C31H37FN4O3/c1-21-5-7-22(8-6-21)24-15-18-35(20-24)29(37)27-19-33-36(26-11-9-25(32)10-12-26)28(27)23-13-16-34(17-14-23)30(38)39-31(2,3)4/h5-12,19,23-24H,13-18,20H2,1-4H3/t24-/m1/s1

InChI Key

WFQOZLRLOIJZQW-XMMPIXPASA-N

MDL Number (MFCD)

MFCD14930365

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.66

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

6.982

Distribution Coefficient, logD

6.982

Water Solubility, LogSw

-5.63

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

45.20

References: we are preparing a list of scientific research reports with E951-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E951-0116?
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What is the minimum amount of E951-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E951-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E951-0116
  • 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 E951-0116 available by request