C498-0002 Screening compound: 7-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide

C498-0002 Screening compound: 7-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide
C498-0002 Screening compound: 7-chloro-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 C498-0002
7-chloro-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

C498-0002

Molecular Formula

C21H14ClN3O3S2 (C21 H14 ClN3 O3 S2)

Compound Name

7-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide

IUPAC name

7-chloro-N-(6-methoxy-13-benzothiazol-2-yl)-5-methyl-4-oxo-4H5H-thieno[32-c]quinoline-2-carboxamide

SMILES

CN(c(cc(cc1)Cl)c1-c1c2cc(C(Nc3nc(ccc(OC)c4)c4s3)=O)s1)C2=O

InChI

InChI=1S/C21H14ClN3O3S2/c1-25-15-7-10(22)3-5-12(15)18-13(20(25)27)9-17(29-18)19(26)24-21-23-14-6-4-11(28-2)8-16(14)30-21/h3-9H,1-2H3,(H,23,24,26)

InChI Key

TVPNVKSGRNDJOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14761924

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.95

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

5.502

Distribution Coefficient, logD

5.502

Water Solubility, LogSw

-5.91

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

C498-0002 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C498-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C498-0002?
Check Price and Availability of C498-0002, 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 C498-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C498-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C498-0002
  • 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 C498-0002 available by request