V022-8939 Screening compound: 1-[5-(5-chlorothiophen-2-yl)-1-ethyl-1H-pyrazole-3-carbonyl]-4-methylpiperidine

V022-8939 Screening compound: 1-[5-(5-chlorothiophen-2-yl)-1-ethyl-1H-pyrazole-3-carbonyl]-4-methylpiperidine
V022-8939 Screening compound: 1-[5-(5-chlorothiophen-2-yl)-1-ethyl-1H-pyrazole-3-carbonyl]-4-methylpiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-8939
1-[5-(5-chlorothiophen-2-yl)-1-ethyl-1H-pyrazole-3-carbonyl]-4-methylpiperidine

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

V022-8939

Molecular Formula

C16H20ClN3OS (C16 H20 ClN3 OS)

Compound Name

1-[5-(5-chlorothiophen-2-yl)-1-ethyl-1H-pyrazole-3-carbonyl]-4-methylpiperidine

IUPAC name

n/a

SMILES

CCn(c(-c(s1)ccc1Cl)c1)nc1C(N1CCC(C)CC1)=O

InChI

InChI=1S/C16H20ClN3OS/c1-3-20-13(14-4-5-15(17)22-14)10-12(18-20)16(21)19-8-6-11(2)7-9-19/h4-5,10-11H,3,6-9H2,1-2H3

InChI Key

JQBNCMFSGCFDHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19966717

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

337.87

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.902

Distribution Coefficient, logD

3.902

Water Solubility, LogSw

-4.19

Polar Surface Area

30.588

Acid Dissociation Constant (pKa)

26.31

Base Dissociation Constant (pKb)

-0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

V022-8939 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V022-8939 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-8939?
Check Price and Availability of V022-8939, 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 V022-8939 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-8939
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-8939
  • 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 V022-8939 available by request