V009-8801 Screening compound: 4-[3,5-bis(propan-2-yl)-1H-pyrazol-1-yl]-1-(3,4-dichlorobenzoyl)piperidine

V009-8801 Screening compound: 4-[3,5-bis(propan-2-yl)-1H-pyrazol-1-yl]-1-(3,4-dichlorobenzoyl)piperidine
V009-8801 Screening compound: 4-[3,5-bis(propan-2-yl)-1H-pyrazol-1-yl]-1-(3,4-dichlorobenzoyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-8801
4-[3,5-bis(propan-2-yl)-1H-pyrazol-1-yl]-1-(3,4-dichlorobenzoyl)piperidine

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

V009-8801

Molecular Formula

C21H27Cl2N3O (C21 H27 Cl2 N3 O)

Compound Name

4-[3,5-bis(propan-2-yl)-1H-pyrazol-1-yl]-1-(3,4-dichlorobenzoyl)piperidine

IUPAC name

4-[35-bis(propan-2-yl)-1H-pyrazol-1-yl]-1-(34-dichlorobenzoyl)piperidine

SMILES

CC(C)c1cc(C(C)C)nn1C(CC1)CCN1C(c(cc1)cc(Cl)c1Cl)=O

InChI

InChI=1S/C21H27Cl2N3O/c1-13(2)19-12-20(14(3)4)26(24-19)16-7-9-25(10-8-16)21(27)15-5-6-17(22)18(23)11-15/h5-6,11-14,16H,7-10H2,1-4H3

InChI Key

YPIMWYIPHZFDSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19958931

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

408.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.373

Distribution Coefficient, logD

5.372

Water Solubility, LogSw

-6.07

Polar Surface Area

29.622

Acid Dissociation Constant (pKa)

25.00

Base Dissociation Constant (pKb)

4.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

V009-8801 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with V009-8801 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-8801?
Check Price and Availability of V009-8801, 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 V009-8801 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-8801
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-8801
  • 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 V009-8801 available by request