V011-6421 Screening compound: 4-(5-{[(3-methylphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl)-2-phenylquinoline

V011-6421 Screening compound: 4-(5-{[(3-methylphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl)-2-phenylquinoline
V011-6421 Screening compound: 4-(5-{[(3-methylphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl)-2-phenylquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-6421
4-(5-{[(3-methylphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl)-2-phenylquinoline

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

V011-6421

Molecular Formula

C28H24N4S (C28 H24 N4 S)

Compound Name

4-(5-{[(3-methylphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl)-2-phenylquinoline

IUPAC name

4-(5-{[(3-methylphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-124-triazol-3-yl)-2-phenylquinoline

SMILES

Cc1cccc(CSc2nnc(-c3cc(-c4ccccc4)nc4ccccc34)n2CC=C)c1

InChI

InChI=1S/C28H24N4S/c1-3-16-32-27(30-31-28(32)33-19-21-11-9-10-20(2)17-21)24-18-26(22-12-5-4-6-13-22)29-25-15-8-7-14-23(24)25/h3-15,17-18H,1,16,19H2,2H3

InChI Key

HIIQOUXAWPPVHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06035574

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

448.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.502

Distribution Coefficient, logD

7.501

Water Solubility, LogSw

-6.22

Polar Surface Area

32.278

Acid Dissociation Constant (pKa)

21.04

Base Dissociation Constant (pKb)

4.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.70

References: we are preparing a list of scientific research reports with V011-6421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-6421?
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What is the minimum amount of V011-6421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-6421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-6421
  • 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 V011-6421 available by request