K642-0073 Screening compound: benzyl 3-amino-4-(5-methylfuran-2-yl)-5H,6H,7H,8H-thieno[2,3-b]quinoline-2-carboxylate

K642-0073 Screening compound: benzyl 3-amino-4-(5-methylfuran-2-yl)-5H,6H,7H,8H-thieno[2,3-b]quinoline-2-carboxylate
K642-0073 Screening compound: benzyl 3-amino-4-(5-methylfuran-2-yl)-5H,6H,7H,8H-thieno[2,3-b]quinoline-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K642-0073
benzyl 3-amino-4-(5-methylfuran-2-yl)-5H,6H,7H,8H-thieno[2,3-b]quinoline-2-carboxylate

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

K642-0073

Molecular Formula

C24H22N2O3S (C24 H22 N2 O3 S)

Compound Name

benzyl 3-amino-4-(5-methylfuran-2-yl)-5H,6H,7H,8H-thieno[2,3-b]quinoline-2-carboxylate

IUPAC name

benzyl 3-amino-4-(5-methylfuran-2-yl)-5H6H7H8H-thieno[23-b]quinoline-2-carboxylate

SMILES

Cc1ccc(-c2c(c(N)c(C(OCc3ccccc3)=O)s3)c3nc3c2CCCC3)o1

InChI

InChI=1S/C24H22N2O3S/c1-14-11-12-18(29-14)19-16-9-5-6-10-17(16)26-23-20(19)21(25)22(30-23)24(27)28-13-15-7-3-2-4-8-15/h2-4,7-8,11-12H,5-6,9-10,13,25H2,1H3

InChI Key

XGEOVFSADFHPEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02238671

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.895

Distribution Coefficient, logD

5.833

Water Solubility, LogSw

-5.85

Polar Surface Area

59.445

Acid Dissociation Constant (pKa)

18.61

Base Dissociation Constant (pKb)

6.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

K642-0073 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K642-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K642-0073?
Check Price and Availability of K642-0073, 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 K642-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K642-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K642-0073
  • 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 K642-0073 available by request