V010-0071 Screening compound: 4-(5-{[(2-fluoro-3-methylphenyl)methyl]sulfanyl}-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl)-6,7-dimethyl-2-(thiophen-2-yl)quinoline

V010-0071 Screening compound: 4-(5-{[(2-fluoro-3-methylphenyl)methyl]sulfanyl}-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl)-6,7-dimethyl-2-(thiophen-2-yl)quinoline
V010-0071 Screening compound: 4-(5-{[(2-fluoro-3-methylphenyl)methyl]sulfanyl}-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl)-6,7-dimethyl-2-(thiophen-2-yl)quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-0071
4-(5-{[(2-fluoro-3-methylphenyl)methyl]sulfanyl}-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl)-6,7-dimethyl-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

V010-0071

Molecular Formula

C28H27FN4S2 (C28 H27 FN4 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)n1c(SCc(cccc2C)c2F)nnc1-c1cc(-c2cccs2)nc2cc(C)c(C)cc12

InChI

InChI=1S/C28H27FN4S2/c1-16(2)33-27(31-32-28(33)35-15-20-9-6-8-17(3)26(20)29)22-14-24(25-10-7-11-34-25)30-23-13-19(5)18(4)12-21(22)23/h6-14,16H,15H2,1-5H3

InChI Key

QDPDRSPWBUMDRN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19947034

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

502.68

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

8.674

Distribution Coefficient, logD

8.674

Water Solubility, LogSw

-6.21

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

25.00

References: we are preparing a list of scientific research reports with V010-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-0071?
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What is the minimum amount of V010-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-0071
  • 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 V010-0071 available by request