C611-0453 Screening compound: propyl 3-amino-6-benzyl-5H,6H,7H,8H-thieno[2,3-b]1,6-naphthyridine-2-carboxylate

C611-0453 Screening compound: propyl 3-amino-6-benzyl-5H,6H,7H,8H-thieno[2,3-b]1,6-naphthyridine-2-carboxylate
C611-0453 Screening compound: propyl 3-amino-6-benzyl-5H,6H,7H,8H-thieno[2,3-b]1,6-naphthyridine-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C611-0453
propyl 3-amino-6-benzyl-5H,6H,7H,8H-thieno[2,3-b]1,6-naphthyridine-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

C611-0453

Molecular Formula

C21H23N3O2S (C21 H23 N3 O2 S)

Compound Name

propyl 3-amino-6-benzyl-5H,6H,7H,8H-thieno[2,3-b]1,6-naphthyridine-2-carboxylate

IUPAC name

propyl 3-amino-6-benzyl-5H6H7H8H-thieno[23-b]16-naphthyridine-2-carboxylate

SMILES

CCCOC(c(sc1nc(CCN(Cc2ccccc2)C2)c2cc11)c1N)=O

InChI

InChI=1S/C21H23N3O2S/c1-2-10-26-21(25)19-18(22)16-11-15-13-24(12-14-6-4-3-5-7-14)9-8-17(15)23-20(16)27-19/h3-7,11H,2,8-10,12-13,22H2,1H3

InChI Key

GHMKZZMBDQABRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10086865

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.249

Distribution Coefficient, logD

4.209

Water Solubility, LogSw

-4.24

Polar Surface Area

55.288

Acid Dissociation Constant (pKa)

17.21

Base Dissociation Constant (pKb)

6.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C611-0453 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C611-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C611-0453?
Check Price and Availability of C611-0453, 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 C611-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C611-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C611-0453
  • 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 C611-0453 available by request