2699-0115 Screening compound: 4-(5-methylfuran-2-yl)-2-(prop-2-en-1-ylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2699-0115 Screening compound: 4-(5-methylfuran-2-yl)-2-(prop-2-en-1-ylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
2699-0115 Screening compound: 4-(5-methylfuran-2-yl)-2-(prop-2-en-1-ylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 2699-0115
4-(5-methylfuran-2-yl)-2-(prop-2-en-1-ylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

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

2699-0115

Molecular Formula

C18H18N2OS (C18 H18 N2 OS)

Compound Name

4-(5-methylfuran-2-yl)-2-(prop-2-en-1-ylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

IUPAC name

4-(5-methylfuran-2-yl)-2-(prop-2-en-1-ylsulfanyl)-5678-tetrahydroquinoline-3-carbonitrile

SMILES

Cc1ccc(-c(c(CCCC2)c2nc2SCC=C)c2C#N)o1

InChI

InChI=1S/C18H18N2OS/c1-3-10-22-18-14(11-19)17(16-9-8-12(2)21-16)13-6-4-5-7-15(13)20-18/h3,8-9H,1,4-7,10H2,2H3

InChI Key

OGTJAOYZIVIVBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01238976

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.074

Distribution Coefficient, logD

5.074

Water Solubility, LogSw

-4.85

Polar Surface Area

35.284

Acid Dissociation Constant (pKa)

22.26

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

2699-0115 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

GPCR Targeted Library (31838 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 2699-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2699-0115?
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What is the minimum amount of 2699-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2699-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2699-0115
  • 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 2699-0115 available by request