V011-6455 Screening compound: methyl 4-[({4-[(furan-2-yl)methyl]-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzoate

V011-6455 Screening compound: methyl 4-[({4-[(furan-2-yl)methyl]-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzoate
V011-6455 Screening compound: methyl 4-[({4-[(furan-2-yl)methyl]-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-6455
methyl 4-[({4-[(furan-2-yl)methyl]-5-(2-phenylquinolin-4-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

V011-6455

Molecular Formula

C31H24N4O3S (C31 H24 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COC(c1ccc(CSc2nnc(-c3cc(-c4ccccc4)nc4ccccc34)n2Cc2ccco2)cc1)=O

InChI

InChI=1S/C31H24N4O3S/c1-37-30(36)23-15-13-21(14-16-23)20-39-31-34-33-29(35(31)19-24-10-7-17-38-24)26-18-28(22-8-3-2-4-9-22)32-27-12-6-5-11-25(26)27/h2-18H,19-20H2,1H3

InChI Key

WWVTWJKBDNVEHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19947014

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

532.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.012

Distribution Coefficient, logD

7.011

Water Solubility, LogSw

-5.94

Polar Surface Area

60.951

Acid Dissociation Constant (pKa)

21.65

Base Dissociation Constant (pKb)

4.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.70

References: we are preparing a list of scientific research reports with V011-6455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-6455?
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What is the minimum amount of V011-6455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-6455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-6455
  • 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 V011-6455 available by request