V003-3689 Screening compound: 4-[4-(3-methoxypropyl)-5-{[(2,3,4-trifluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]-2-phenylquinoline

V003-3689 Screening compound: 4-[4-(3-methoxypropyl)-5-{[(2,3,4-trifluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]-2-phenylquinoline
V003-3689 Screening compound: 4-[4-(3-methoxypropyl)-5-{[(2,3,4-trifluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]-2-phenylquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-3689
4-[4-(3-methoxypropyl)-5-{[(2,3,4-trifluorophenyl)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

V003-3689

Molecular Formula

C28H23F3N4OS (C28 H23 F3 N4 OS)

Compound Name

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

IUPAC name

4-[4-(3-methoxypropyl)-5-{[(234-trifluorophenyl)methyl]sulfanyl}-4H-124-triazol-3-yl]-2-phenylquinoline

SMILES

COCCCn1c(SCc(ccc(F)c2F)c2F)nnc1-c1cc(-c2ccccc2)nc2ccccc12

InChI

InChI=1S/C28H23F3N4OS/c1-36-15-7-14-35-27(33-34-28(35)37-17-19-12-13-22(29)26(31)25(19)30)21-16-24(18-8-3-2-4-9-18)32-23-11-6-5-10-20(21)23/h2-6,8-13,16H,7,14-15,17H2,1H3

InChI Key

GANYDTMRXRZCMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19947083

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

520.58

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

7.209

Distribution Coefficient, logD

7.208

Water Solubility, LogSw

-6.01

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 V003-3689 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-3689?
Check Price and Availability of V003-3689, 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 V003-3689 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-3689
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-3689
  • 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 V003-3689 available by request