V011-7950 Screening compound: methyl 3-({[4-(3,4-dichlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate

V011-7950 Screening compound: methyl 3-({[4-(3,4-dichlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
V011-7950 Screening compound: methyl 3-({[4-(3,4-dichlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-7950
methyl 3-({[4-(3,4-dichlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate

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

V011-7950

Molecular Formula

C21H15Cl2N3O3S (C21 H15 Cl2 N3 O3 S)

Compound Name

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

IUPAC name

methyl 3-({[4-(34-dichlorophenyl)-5-(furan-2-yl)-4H-124-triazol-3-yl]sulfanyl}methyl)benzoate

SMILES

COC(c1cccc(CSc2nnc(-c3ccco3)n2-c(cc2)cc(Cl)c2Cl)c1)=O

InChI

InChI=1S/C21H15Cl2N3O3S/c1-28-20(27)14-5-2-4-13(10-14)12-30-21-25-24-19(18-6-3-9-29-18)26(21)15-7-8-16(22)17(23)11-15/h2-11H,12H2,1H3

InChI Key

OSCVWALFKHHXLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19844316

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

460.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.632

Distribution Coefficient, logD

5.632

Water Solubility, LogSw

-6.06

Polar Surface Area

54.465

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with V011-7950 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-7950?
Check Price and Availability of V011-7950, 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 V011-7950 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-7950
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-7950
  • 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 V011-7950 available by request