V003-4812 Screening compound: 4-(5-{[(3-chloro-2-fluorophenyl)methyl]sulfanyl}-4-(3-methoxypropyl)-4H-1,2,4-triazol-3-yl)-2-phenylquinoline

V003-4812 Screening compound: 4-(5-{[(3-chloro-2-fluorophenyl)methyl]sulfanyl}-4-(3-methoxypropyl)-4H-1,2,4-triazol-3-yl)-2-phenylquinoline
V003-4812 Screening compound: 4-(5-{[(3-chloro-2-fluorophenyl)methyl]sulfanyl}-4-(3-methoxypropyl)-4H-1,2,4-triazol-3-yl)-2-phenylquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-4812
4-(5-{[(3-chloro-2-fluorophenyl)methyl]sulfanyl}-4-(3-methoxypropyl)-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

V003-4812

Molecular Formula

C28H24ClFN4OS (C28 H24 ClFN4 OS)

Compound Name

4-(5-{[(3-chloro-2-fluorophenyl)methyl]sulfanyl}-4-(3-methoxypropyl)-4H-1,2,4-triazol-3-yl)-2-phenylquinoline

IUPAC name

4-(5-{[(3-chloro-2-fluorophenyl)methyl]sulfanyl}-4-(3-methoxypropyl)-4H-124-triazol-3-yl)-2-phenylquinoline

SMILES

COCCCn1c(SCc2cccc(Cl)c2F)nnc1-c1cc(-c2ccccc2)nc2ccccc12

InChI

InChI=1S/C28H24ClFN4OS/c1-35-16-8-15-34-27(32-33-28(34)36-18-20-11-7-13-23(29)26(20)30)22-17-25(19-9-3-2-4-10-19)31-24-14-6-5-12-21(22)24/h2-7,9-14,17H,8,15-16,18H2,1H3

InChI Key

LTBSEMHHXZMLDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19947022

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

519.04

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.429

Distribution Coefficient, logD

7.428

Water Solubility, LogSw

-6.60

Polar Surface Area

40.621

Acid Dissociation Constant (pKa)

19.41

Base Dissociation Constant (pKb)

4.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

References: we are preparing a list of scientific research reports with V003-4812 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-4812?
Check Price and Availability of V003-4812, 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 V003-4812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-4812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-4812
  • 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 V003-4812 available by request