V007-3563 Screening compound: 4-({[4-(4-methoxyphenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile

V007-3563 Screening compound: 4-({[4-(4-methoxyphenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
V007-3563 Screening compound: 4-({[4-(4-methoxyphenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-3563
4-({[4-(4-methoxyphenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)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

V007-3563

Molecular Formula

C20H20N4OS (C20 H20 N4 OS)

Compound Name

4-({[4-(4-methoxyphenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile

IUPAC name

4-({[4-(4-methoxyphenyl)-5-(propan-2-yl)-4H-124-triazol-3-yl]sulfanyl}methyl)benzonitrile

SMILES

CC(C)c(n1-c(cc2)ccc2OC)nnc1SCc(cc1)ccc1C#N

InChI

InChI=1S/C20H20N4OS/c1-14(2)19-22-23-20(24(19)17-8-10-18(25-3)11-9-17)26-13-16-6-4-15(12-21)5-7-16/h4-11,14H,13H2,1-3H3

InChI Key

VUJCXBSTKNSBAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19844665

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

364.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.909

Distribution Coefficient, logD

3.909

Water Solubility, LogSw

-4.07

Polar Surface Area

49.584

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

3.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

V007-3563 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Immunological Library (6760 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with V007-3563 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-3563?
Check Price and Availability of V007-3563, 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 V007-3563 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-3563
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-3563
  • 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 V007-3563 available by request