V011-4505 Screening compound: [4-(6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-yl)piperazino][4-(trifluoromethoxy)phenyl]methanone

V011-4505 Screening compound: [4-(6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-yl)piperazino][4-(trifluoromethoxy)phenyl]methanone
V011-4505 Screening compound: [4-(6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-yl)piperazino][4-(trifluoromethoxy)phenyl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-4505
[4-(6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-yl)piperazino][4-(trifluoromethoxy)phenyl]methanone

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

V011-4505

Molecular Formula

C20H19F3N6O2 (C20 H19 F3 N6 O2)

Compound Name

[4-(6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-yl)piperazino][4-(trifluoromethoxy)phenyl]methanone

IUPAC name

2-{4-[4-(trifluoromethoxy)benzoyl]piperazin-1-yl}-181012-tetraazatricyclo[7.3.0.0^{37}]dodeca-27911-tetraene

SMILES

O=C(c(cc1)ccc1OC(F)(F)F)N(CC1)CCN1c1c(CCC2)c2nc2ncnn12

InChI

InChI=1S/C20H19F3N6O2/c21-20(22,23)31-14-6-4-13(5-7-14)18(30)28-10-8-27(9-11-28)17-15-2-1-3-16(15)26-19-24-12-25-29(17)19/h4-7,12H,1-3,8-11H2

InChI Key

TWSRWHUWIVNXEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19960619

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

432.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.930

Distribution Coefficient, logD

2.930

Water Solubility, LogSw

-3.35

Polar Surface Area

62.389

Acid Dissociation Constant (pKa)

19.32

Base Dissociation Constant (pKb)

0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

V011-4505 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V011-4505 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-4505?
Check Price and Availability of V011-4505, 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 V011-4505 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-4505
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-4505
  • 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 V011-4505 available by request