V026-8990 Screening compound: ETHYL 1-[5-PHENYL-1-(2,2,2-TRIFLUOROETHYL)-1H-PYRAZOLE-4-CARBONYL]PIPERIDINE-3-CARBOXYLATE

V026-8990 Screening compound: ETHYL 1-[5-PHENYL-1-(2,2,2-TRIFLUOROETHYL)-1H-PYRAZOLE-4-CARBONYL]PIPERIDINE-3-CARBOXYLATE
V026-8990 Screening compound: ETHYL 1-[5-PHENYL-1-(2,2,2-TRIFLUOROETHYL)-1H-PYRAZOLE-4-CARBONYL]PIPERIDINE-3-CARBOXYLATE alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-8990
ETHYL 1-[5-PHENYL-1-(2,2,2-TRIFLUOROETHYL)-1H-PYRAZOLE-4-CARBONYL]PIPERIDINE-3-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

V026-8990

Molecular Formula

C20H22F3N3O3 (C20 H22 F3 N3 O3)

Compound Name

ETHYL 1-[5-PHENYL-1-(2,2,2-TRIFLUOROETHYL)-1H-PYRAZOLE-4-CARBONYL]PIPERIDINE-3-CARBOXYLATE

IUPAC name

ethyl 1-[5-phenyl-1-(222-trifluoroethyl)-1H-pyrazole-4-carbonyl]piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1C(c1c(-c2ccccc2)n(CC(F)(F)F)nc1)=O)=O

InChI

InChI=1S/C20H22F3N3O3/c1-2-29-19(28)15-9-6-10-25(12-15)18(27)16-11-24-26(13-20(21,22)23)17(16)14-7-4-3-5-8-14/h3-5,7-8,11,15H,2,6,9-10,12-13H2,1H3/t15-/m0/s1

InChI Key

MYNZQZSOOFYWCY-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD19802816

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.41

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

3.032

Distribution Coefficient, logD

3.032

Water Solubility, LogSw

-3.10

Polar Surface Area

50.532

Acid Dissociation Constant (pKa)

22.44

Base Dissociation Constant (pKb)

0.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

V026-8990 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V026-8990 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-8990?
Check Price and Availability of V026-8990, 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 V026-8990 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-8990
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-8990
  • 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 V026-8990 available by request