V013-9411 Screening compound: ethyl 1-{[3,5-diethyl-1-(4-fluorophenyl)-1H-pyrazol-4-yl]carbonyl}-3-piperidinecarboxylate

V013-9411 Screening compound: ethyl 1-{[3,5-diethyl-1-(4-fluorophenyl)-1H-pyrazol-4-yl]carbonyl}-3-piperidinecarboxylate
V013-9411 Screening compound: ethyl 1-{[3,5-diethyl-1-(4-fluorophenyl)-1H-pyrazol-4-yl]carbonyl}-3-piperidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-9411
ethyl 1-{[3,5-diethyl-1-(4-fluorophenyl)-1H-pyrazol-4-yl]carbonyl}-3-piperidinecarboxylate

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

V013-9411

Molecular Formula

C22H28FN3O3 (C22 H28 FN3 O3)

Compound Name

ethyl 1-{[3,5-diethyl-1-(4-fluorophenyl)-1H-pyrazol-4-yl]carbonyl}-3-piperidinecarboxylate

IUPAC name

ethyl 1-[35-diethyl-1-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]piperidine-3-carboxylate

SMILES

CCc1c(C(N(CCC2)CC2C(OCC)=O)=O)c(CC)nn1-c(cc1)ccc1F

InChI

InChI=1S/C22H28FN3O3/c1-4-18-20(19(5-2)26(24-18)17-11-9-16(23)10-12-17)21(27)25-13-7-8-15(14-25)22(28)29-6-3/h9-12,15H,4-8,13-14H2,1-3H3/t15-/m0/s1

InChI Key

YGRZRAACOBMAGM-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD19809677

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.603

Distribution Coefficient, logD

3.603

Water Solubility, LogSw

-3.75

Polar Surface Area

52.191

Acid Dissociation Constant (pKa)

22.44

Base Dissociation Constant (pKb)

2.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with V013-9411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-9411?
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What is the minimum amount of V013-9411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-9411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-9411
  • 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 V013-9411 available by request