V011-9710 Screening compound: 1-(2-methylpropyl)-4-(4-{3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}benzoyl)piperazine

V011-9710 Screening compound: 1-(2-methylpropyl)-4-(4-{3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}benzoyl)piperazine
V011-9710 Screening compound: 1-(2-methylpropyl)-4-(4-{3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}benzoyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-9710
1-(2-methylpropyl)-4-(4-{3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}benzoyl)piperazine

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

V011-9710

Molecular Formula

C25H27F3N4O (C25 H27 F3 N4 O)

Compound Name

1-(2-methylpropyl)-4-(4-{3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}benzoyl)piperazine

IUPAC name

1-(2-methylpropyl)-4-(4-{3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}benzoyl)piperazine

SMILES

CC(C)CN(CC1)CCN1C(c(cc1)ccc1-c1cc(-c2cccc(C(F)(F)F)c2)n[nH]1)=O

InChI

InChI=1S/C25H27F3N4O/c1-17(2)16-31-10-12-32(13-11-31)24(33)19-8-6-18(7-9-19)22-15-23(30-29-22)20-4-3-5-21(14-20)25(26,27)28/h3-9,14-15,17H,10-13,16H2,1-2H3,(H,29,30)

InChI Key

VHOCDXRJHKLAPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19954422

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

456.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.114

Distribution Coefficient, logD

4.925

Water Solubility, LogSw

-5.17

Polar Surface Area

42.917

Acid Dissociation Constant (pKa)

8.35

Base Dissociation Constant (pKb)

7.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

V011-9710 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V011-9710 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-9710?
Check Price and Availability of V011-9710, 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 V011-9710 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-9710
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-9710
  • 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 V011-9710 available by request