C498-0472 Screening compound: N-(6-METHOXY-1,3-BENZOTHIAZOL-2-YL)-5-METHYL-4-OXO-4H,5H-THIENO[3,2-C]QUINOLINE-2-CARBOXAMIDE

C498-0472 Screening compound: N-(6-METHOXY-1,3-BENZOTHIAZOL-2-YL)-5-METHYL-4-OXO-4H,5H-THIENO[3,2-C]QUINOLINE-2-CARBOXAMIDE
C498-0472 Screening compound: N-(6-METHOXY-1,3-BENZOTHIAZOL-2-YL)-5-METHYL-4-OXO-4H,5H-THIENO[3,2-C]QUINOLINE-2-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C498-0472
N-(6-METHOXY-1,3-BENZOTHIAZOL-2-YL)-5-METHYL-4-OXO-4H,5H-THIENO[3,2-C]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

C498-0472

Molecular Formula

C21H15N3O3S2 (C21 H15 N3 O3 S2)

Compound Name

N-(6-METHOXY-1,3-BENZOTHIAZOL-2-YL)-5-METHYL-4-OXO-4H,5H-THIENO[3,2-C]QUINOLINE-2-CARBOXAMIDE

IUPAC name

n/a

SMILES

CN(c(cccc1)c1-c1c2cc(C(Nc3nc(ccc(OC)c4)c4s3)=O)s1)C2=O

InChI

InChI=1S/C21H15N3O3S2/c1-24-15-6-4-3-5-12(15)18-13(20(24)26)10-17(28-18)19(25)23-21-22-14-8-7-11(27-2)9-16(14)29-21/h3-10H,1-2H3,(H,22,23,25)

InChI Key

IKQKSOPRXUSZOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14762063

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.717

Distribution Coefficient, logD

4.717

Water Solubility, LogSw

-4.59

Polar Surface Area

56.522

Acid Dissociation Constant (pKa)

10.54

Base Dissociation Constant (pKb)

0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

C498-0472 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with C498-0472 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C498-0472?
Check Price and Availability of C498-0472, 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 C498-0472 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C498-0472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C498-0472
  • 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 C498-0472 available by request