K642-0057 Screening compound: 3-amino-N-(3-chloro-4-methylphenyl)-4-(5-methylfuran-2-yl)-5H,6H,7H,8H-thieno[2,3-b]quinoline-2-carboxamide

K642-0057 Screening compound: 3-amino-N-(3-chloro-4-methylphenyl)-4-(5-methylfuran-2-yl)-5H,6H,7H,8H-thieno[2,3-b]quinoline-2-carboxamide
K642-0057 Screening compound: 3-amino-N-(3-chloro-4-methylphenyl)-4-(5-methylfuran-2-yl)-5H,6H,7H,8H-thieno[2,3-b]quinoline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K642-0057
3-amino-N-(3-chloro-4-methylphenyl)-4-(5-methylfuran-2-yl)-5H,6H,7H,8H-thieno[2,3-b]quinoline-2-carboxamide

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

K642-0057

Molecular Formula

C24H22ClN3O2S (C24 H22 ClN3 O2 S)

Compound Name

3-amino-N-(3-chloro-4-methylphenyl)-4-(5-methylfuran-2-yl)-5H,6H,7H,8H-thieno[2,3-b]quinoline-2-carboxamide

IUPAC name

3-amino-N-(3-chloro-4-methylphenyl)-4-(5-methylfuran-2-yl)-5H6H7H8H-thieno[23-b]quinoline-2-carboxamide

SMILES

Cc1ccc(-c2c(CCCC3)c3nc3c2c(N)c(C(Nc2cc(Cl)c(C)cc2)=O)s3)o1

InChI

InChI=1S/C24H22ClN3O2S/c1-12-7-9-14(11-16(12)25)27-23(29)22-21(26)20-19(18-10-8-13(2)30-18)15-5-3-4-6-17(15)28-24(20)31-22/h7-11H,3-6,26H2,1-2H3,(H,27,29)

InChI Key

QPLKXHBMIAMYNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02240745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.98

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.853

Distribution Coefficient, logD

6.852

Water Solubility, LogSw

-6.63

Polar Surface Area

61.679

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

4.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

K642-0057 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K642-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K642-0057?
Check Price and Availability of K642-0057, 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 K642-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K642-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K642-0057
  • 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 K642-0057 available by request