V015-2105 Screening compound: 1-(4-cyanophenyl)-3-[(5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)methyl]urea

V015-2105 Screening compound: 1-(4-cyanophenyl)-3-[(5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)methyl]urea
V015-2105 Screening compound: 1-(4-cyanophenyl)-3-[(5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-2105
1-(4-cyanophenyl)-3-[(5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(4-methylphenyl)-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

V015-2105

Molecular Formula

C25H21FN6OS (C25 H21 FN6 OS)

Compound Name

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

IUPAC name

1-(4-cyanophenyl)-3-[(5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(4-methylphenyl)-4H-124-triazol-3-yl)methyl]urea

SMILES

Cc(cc1)ccc1-n1c(SCc(cc2)ccc2F)nnc1CNC(Nc(cc1)ccc1C#N)=O

InChI

InChI=1S/C25H21FN6OS/c1-17-2-12-22(13-3-17)32-23(15-28-24(33)29-21-10-6-18(14-27)7-11-21)30-31-25(32)34-16-19-4-8-20(26)9-5-19/h2-13H,15-16H2,1H3,(H2,28,29,33)

InChI Key

NMASWCMDLMQGHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14239042

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

472.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.226

Distribution Coefficient, logD

4.226

Water Solubility, LogSw

-4.20

Polar Surface Area

76.642

Acid Dissociation Constant (pKa)

11.63

Base Dissociation Constant (pKb)

2.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

V015-2105 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system

References: we are preparing a list of scientific research reports with V015-2105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-2105?
Check Price and Availability of V015-2105, 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 V015-2105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-2105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-2105
  • 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 V015-2105 available by request