V003-0694 Screening compound: 2-chloro-6-[4-({4-[6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl}sulfonyl)phenoxy]benzonitrile

V003-0694 Screening compound: 2-chloro-6-[4-({4-[6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl}sulfonyl)phenoxy]benzonitrile
V003-0694 Screening compound: 2-chloro-6-[4-({4-[6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl}sulfonyl)phenoxy]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-0694
2-chloro-6-[4-({4-[6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl}sulfonyl)phenoxy]benzonitrile

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

V003-0694

Molecular Formula

C30H26ClN7O5S (C30 H26 ClN7 O5 S)

Compound Name

2-chloro-6-[4-({4-[6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl}sulfonyl)phenoxy]benzonitrile

IUPAC name

2-chloro-6-[4-({4-[6-(34-dimethoxyphenyl)-[124]triazolo[15-a]pyrimidin-7-yl]piperazin-1-yl}sulfonyl)phenoxy]benzonitrile

SMILES

COc(ccc(-c(cnc1ncnn11)c1N(CC1)CCN1S(c(cc1)ccc1Oc1cccc(Cl)c1C#N)(=O)=O)c1)c1OC

InChI

InChI=1S/C30H26ClN7O5S/c1-41-27-11-6-20(16-28(27)42-2)24-18-33-30-34-19-35-38(30)29(24)36-12-14-37(15-13-36)44(39,40)22-9-7-21(8-10-22)43-26-5-3-4-25(31)23(26)17-32/h3-11,16,18-19H,12-15H2,1-2H3

InChI Key

AFXJXKQUSFIDRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19961057

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

632.1

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

4.244

Distribution Coefficient, logD

4.237

Water Solubility, LogSw

-4.69

Polar Surface Area

104.919

Acid Dissociation Constant (pKa)

24.91

Base Dissociation Constant (pKb)

5.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

V003-0694 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antimitotic Tubulin Library (17355 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 V003-0694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-0694?
Check Price and Availability of V003-0694, 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 V003-0694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-0694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-0694
  • 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 V003-0694 available by request