V003-4797 Screening compound: 4-(4-ethyl-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-2-phenylquinoline

V003-4797 Screening compound: 4-(4-ethyl-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-2-phenylquinoline
V003-4797 Screening compound: 4-(4-ethyl-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-2-phenylquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-4797
4-(4-ethyl-5-{[(3-methylphenyl)methyl]sulfanyl}-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

V003-4797

Molecular Formula

C27H24N4S (C27 H24 N4 S)

Compound Name

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

IUPAC name

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

SMILES

CCn1c(SCc2cc(C)ccc2)nnc1-c1cc(-c2ccccc2)nc2ccccc12

InChI

InChI=1S/C27H24N4S/c1-3-31-26(29-30-27(31)32-18-20-11-9-10-19(2)16-20)23-17-25(21-12-5-4-6-13-21)28-24-15-8-7-14-22(23)24/h4-17H,3,18H2,1-2H3

InChI Key

ABXZNBDZGHGYLB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06035251

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

436.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.291

Distribution Coefficient, logD

7.290

Water Solubility, LogSw

-6.17

Polar Surface Area

32.025

Acid Dissociation Constant (pKa)

18.75

Base Dissociation Constant (pKb)

4.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

References: we are preparing a list of scientific research reports with V003-4797 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-4797?
Check Price and Availability of V003-4797, 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 V003-4797 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-4797
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-4797
  • 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 V003-4797 available by request