V017-2981 Screening compound: ethyl 1-[3-cyclopropyl-1-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carbonyl]piperidine-3-carboxylate

V017-2981 Screening compound: ethyl 1-[3-cyclopropyl-1-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carbonyl]piperidine-3-carboxylate
V017-2981 Screening compound: ethyl 1-[3-cyclopropyl-1-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carbonyl]piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-2981
ethyl 1-[3-cyclopropyl-1-(4-fluorophenyl)-5-methyl-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

V017-2981

Molecular Formula

C22H26FN3O3 (C22 H26 FN3 O3)

Compound Name

ethyl 1-[3-cyclopropyl-1-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carbonyl]piperidine-3-carboxylate

IUPAC name

ethyl 1-[3-cyclopropyl-1-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carbonyl]piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1C(c1c(C)n(-c(cc2)ccc2F)nc1C1CC1)=O)=O

InChI

InChI=1S/C22H26FN3O3/c1-3-29-22(28)16-5-4-12-25(13-16)21(27)19-14(2)26(24-20(19)15-6-7-15)18-10-8-17(23)9-11-18/h8-11,15-16H,3-7,12-13H2,1-2H3/t16-/m0/s1

InChI Key

KISJZZICDQZUPW-INIZCTEOSA-N

MDL Number (MFCD)

MFCD19815636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.791

Distribution Coefficient, logD

3.791

Water Solubility, LogSw

-4.14

Polar Surface Area

52.437

Acid Dissociation Constant (pKa)

22.44

Base Dissociation Constant (pKb)

3.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

V017-2981 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V017-2981 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-2981?
Check Price and Availability of V017-2981, 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 V017-2981 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-2981
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-2981
  • 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 V017-2981 available by request