V011-1223 Screening compound: 4-({[5-(furan-2-yl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile

V011-1223 Screening compound: 4-({[5-(furan-2-yl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
V011-1223 Screening compound: 4-({[5-(furan-2-yl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-1223
4-({[5-(furan-2-yl)-4-(3-methylphenyl)-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

V011-1223

Molecular Formula

C21H16N4OS (C21 H16 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(-n2c(SCc(cc3)ccc3C#N)nnc2-c2ccco2)c1

InChI

InChI=1S/C21H16N4OS/c1-15-4-2-5-18(12-15)25-20(19-6-3-11-26-19)23-24-21(25)27-14-17-9-7-16(13-22)8-10-17/h2-12H,14H2,1H3

InChI Key

BOYIYUNTIODYBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19778631

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

372.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.184

Distribution Coefficient, logD

4.184

Water Solubility, LogSw

-4.32

Polar Surface Area

50.347

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

3.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with V011-1223 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-1223?
Check Price and Availability of V011-1223, 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 V011-1223 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-1223
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-1223
  • 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 V011-1223 available by request