V015-0976 Screening compound: 1-(3-cyanophenyl)-3-{[4-(2,5-dichlorophenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}urea

V015-0976 Screening compound: 1-(3-cyanophenyl)-3-{[4-(2,5-dichlorophenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}urea
V015-0976 Screening compound: 1-(3-cyanophenyl)-3-{[4-(2,5-dichlorophenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-0976
1-(3-cyanophenyl)-3-{[4-(2,5-dichlorophenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}urea

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

V015-0976

Molecular Formula

C25H20Cl2N6O2S (C25 H20 Cl2 N6 O2 S)

Compound Name

1-(3-cyanophenyl)-3-{[4-(2,5-dichlorophenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}urea

IUPAC name

1-(3-cyanophenyl)-3-{[4-(25-dichlorophenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-124-triazol-3-yl]methyl}urea

SMILES

COc1cccc(CSc2nnc(CNC(Nc3cc(C#N)ccc3)=O)n2-c(cc(cc2)Cl)c2Cl)c1

InChI

InChI=1S/C25H20Cl2N6O2S/c1-35-20-7-3-5-17(11-20)15-36-25-32-31-23(33(25)22-12-18(26)8-9-21(22)27)14-29-24(34)30-19-6-2-4-16(10-19)13-28/h2-12H,14-15H2,1H3,(H2,29,30,34)

InChI Key

DGWRNKFWBJSFOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14240739

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

539.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.336

Distribution Coefficient, logD

5.336

Water Solubility, LogSw

-5.98

Polar Surface Area

83.884

Acid Dissociation Constant (pKa)

12.06

Base Dissociation Constant (pKb)

2.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with V015-0976 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-0976?
Check Price and Availability of V015-0976, 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 V015-0976 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-0976
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-0976
  • 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 V015-0976 available by request