V007-5297 Screening compound: 6,7-dimethyl-4-[4-(propan-2-yl)-5-{[(2,3,6-trifluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]-2-(thiophen-2-yl)quinoline

V007-5297 Screening compound: 6,7-dimethyl-4-[4-(propan-2-yl)-5-{[(2,3,6-trifluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]-2-(thiophen-2-yl)quinoline
V007-5297 Screening compound: 6,7-dimethyl-4-[4-(propan-2-yl)-5-{[(2,3,6-trifluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]-2-(thiophen-2-yl)quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-5297
6,7-dimethyl-4-[4-(propan-2-yl)-5-{[(2,3,6-trifluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]-2-(thiophen-2-yl)quinoline

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

V007-5297

Molecular Formula

C27H23F3N4S2 (C27 H23 F3 N4 S2)

Compound Name

6,7-dimethyl-4-[4-(propan-2-yl)-5-{[(2,3,6-trifluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]-2-(thiophen-2-yl)quinoline

IUPAC name

67-dimethyl-4-[4-(propan-2-yl)-5-{[(236-trifluorophenyl)methyl]sulfanyl}-4H-124-triazol-3-yl]-2-(thiophen-2-yl)quinoline

SMILES

CC(C)n1c(SCc(c(F)ccc2F)c2F)nnc1-c1cc(-c2cccs2)nc2cc(C)c(C)cc12

InChI

InChI=1S/C27H23F3N4S2/c1-14(2)34-26(32-33-27(34)36-13-19-20(28)7-8-21(29)25(19)30)18-12-23(24-6-5-9-35-24)31-22-11-16(4)15(3)10-17(18)22/h5-12,14H,13H2,1-4H3

InChI Key

KJWBHZDCSNOQCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19947099

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

524.63

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

8.415

Distribution Coefficient, logD

8.415

Water Solubility, LogSw

-6.16

Polar Surface Area

34.394

Acid Dissociation Constant (pKa)

16.39

Base Dissociation Constant (pKb)

3.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with V007-5297 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-5297?
Check Price and Availability of V007-5297, 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 V007-5297 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-5297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-5297
  • 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 V007-5297 available by request