V002-8881 Screening compound: 1-{6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}-4-[2-(trifluoromethoxy)benzenesulfonyl]piperazine

V002-8881 Screening compound: 1-{6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}-4-[2-(trifluoromethoxy)benzenesulfonyl]piperazine
V002-8881 Screening compound: 1-{6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}-4-[2-(trifluoromethoxy)benzenesulfonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-8881
1-{6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}-4-[2-(trifluoromethoxy)benzenesulfonyl]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

V002-8881

Molecular Formula

C22H19F3N6O3S (C22 H19 F3 N6 O3 S)

Compound Name

1-{6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}-4-[2-(trifluoromethoxy)benzenesulfonyl]piperazine

IUPAC name

1-{6-phenyl-[124]triazolo[15-a]pyrimidin-7-yl}-4-[2-(trifluoromethoxy)benzenesulfonyl]piperazine

SMILES

O=S(c(cccc1)c1OC(F)(F)F)(N(CC1)CCN1c(n1ncnc1nc1)c1-c1ccccc1)=O

InChI

InChI=1S/C22H19F3N6O3S/c23-22(24,25)34-18-8-4-5-9-19(18)35(32,33)30-12-10-29(11-13-30)20-17(16-6-2-1-3-7-16)14-26-21-27-15-28-31(20)21/h1-9,14-15H,10-13H2

InChI Key

WECYRTRNHYCMTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19960797

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

504.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.141

Distribution Coefficient, logD

4.131

Water Solubility, LogSw

-4.31

Polar Surface Area

71.791

Acid Dissociation Constant (pKa)

24.91

Base Dissociation Constant (pKb)

5.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

V002-8881 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antimitotic Tubulin Library (17355 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with V002-8881 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-8881?
Check Price and Availability of V002-8881, 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 V002-8881 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-8881
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-8881
  • 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 V002-8881 available by request