V016-9656 Screening compound: 3-{[5-(benzylsulfanyl)-4-(2,5-dichlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-1-[3-(trifluoromethyl)phenyl]urea

V016-9656 Screening compound: 3-{[5-(benzylsulfanyl)-4-(2,5-dichlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-1-[3-(trifluoromethyl)phenyl]urea
V016-9656 Screening compound: 3-{[5-(benzylsulfanyl)-4-(2,5-dichlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-1-[3-(trifluoromethyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-9656
3-{[5-(benzylsulfanyl)-4-(2,5-dichlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-1-[3-(trifluoromethyl)phenyl]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

V016-9656

Molecular Formula

C24H18Cl2F3N5OS (C24 H18 Cl2 F3 N5 OS)

Compound Name

3-{[5-(benzylsulfanyl)-4-(2,5-dichlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-1-[3-(trifluoromethyl)phenyl]urea

IUPAC name

3-{[5-(benzylsulfanyl)-4-(25-dichlorophenyl)-4H-124-triazol-3-yl]methyl}-1-[3-(trifluoromethyl)phenyl]urea

SMILES

O=C(NCc(n1-c(cc(cc2)Cl)c2Cl)nnc1SCc1ccccc1)Nc1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C24H18Cl2F3N5OS/c25-17-9-10-19(26)20(12-17)34-21(32-33-23(34)36-14-15-5-2-1-3-6-15)13-30-22(35)31-18-8-4-7-16(11-18)24(27,28)29/h1-12H,13-14H2,(H2,30,31,35)

InChI Key

LPMBFODMGJAQLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14239052

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

552.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.186

Distribution Coefficient, logD

6.186

Water Solubility, LogSw

-6.31

Polar Surface Area

59.284

Acid Dissociation Constant (pKa)

11.47

Base Dissociation Constant (pKb)

2.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

V016-9656 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V016-9656 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-9656?
Check Price and Availability of V016-9656, 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 V016-9656 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-9656
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-9656
  • 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 V016-9656 available by request