E951-0057 Screening compound: tert-butyl 4-{1-(4-fluorophenyl)-4-[(propylamino)carbonyl]-1H-pyrazol-5-yl}tetrahydro-1(2H)-pyridinecarboxylate

E951-0057 Screening compound: tert-butyl 4-{1-(4-fluorophenyl)-4-[(propylamino)carbonyl]-1H-pyrazol-5-yl}tetrahydro-1(2H)-pyridinecarboxylate
E951-0057 Screening compound: tert-butyl 4-{1-(4-fluorophenyl)-4-[(propylamino)carbonyl]-1H-pyrazol-5-yl}tetrahydro-1(2H)-pyridinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E951-0057
tert-butyl 4-{1-(4-fluorophenyl)-4-[(propylamino)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

E951-0057

Molecular Formula

C23H31FN4O3 (C23 H31 FN4 O3)

Compound Name

tert-butyl 4-{1-(4-fluorophenyl)-4-[(propylamino)carbonyl]-1H-pyrazol-5-yl}tetrahydro-1(2H)-pyridinecarboxylate

IUPAC name

tert-butyl 4-[1-(4-fluorophenyl)-4-(propylcarbamoyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate

SMILES

CCCNC(c1c(C(CC2)CCN2C(OC(C)(C)C)=O)n(-c(cc2)ccc2F)nc1)=O

InChI

InChI=1S/C23H31FN4O3/c1-5-12-25-21(29)19-15-26-28(18-8-6-17(24)7-9-18)20(19)16-10-13-27(14-11-16)22(30)31-23(2,3)4/h6-9,15-16H,5,10-14H2,1-4H3,(H,25,29)

InChI Key

QGXBVALRWYELCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14930349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.168

Distribution Coefficient, logD

5.168

Water Solubility, LogSw

-4.87

Polar Surface Area

59.669

Acid Dissociation Constant (pKa)

14.47

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.17

References: we are preparing a list of scientific research reports with E951-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E951-0057?
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What is the minimum amount of E951-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E951-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E951-0057
  • 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 E951-0057 available by request