7706-0624 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-4-(trifluoromethyl)-5H,6H-furo[2,3-h]quinoline-3-carbonitrile

7706-0624 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-4-(trifluoromethyl)-5H,6H-furo[2,3-h]quinoline-3-carbonitrile
7706-0624 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-4-(trifluoromethyl)-5H,6H-furo[2,3-h]quinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 7706-0624
2-{[(2-chlorophenyl)methyl]sulfanyl}-4-(trifluoromethyl)-5H,6H-furo[2,3-h]quinoline-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

7706-0624

Molecular Formula

C20H12ClF3N2OS (C20 H12 ClF3 N2 OS)

Compound Name

2-{[(2-chlorophenyl)methyl]sulfanyl}-4-(trifluoromethyl)-5H,6H-furo[2,3-h]quinoline-3-carbonitrile

IUPAC name

2-{[(2-chlorophenyl)methyl]sulfanyl}-4-(trifluoromethyl)-5H6H-furo[23-h]quinoline-3-carbonitrile

SMILES

N#Cc1c(C(F)(F)F)c(CCc2c-3cco2)c3nc1SCc(cccc1)c1Cl

InChI

InChI=1S/C20H12ClF3N2OS/c21-15-4-2-1-3-11(15)10-28-19-14(9-25)17(20(22,23)24)13-5-6-16-12(7-8-27-16)18(13)26-19/h1-4,7-8H,5-6,10H2

InChI Key

HNMRQQSGAXVDDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06643380

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.84

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

6.011

Distribution Coefficient, logD

6.011

Water Solubility, LogSw

-6.37

Polar Surface Area

34.761

Acid Dissociation Constant (pKa)

22.05

Base Dissociation Constant (pKb)

-0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

7706-0624 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7706-0624 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7706-0624?
Check Price and Availability of 7706-0624, 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 7706-0624 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7706-0624
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7706-0624
  • 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 7706-0624 available by request