5350-1056 Screening compound: 3-amino-N,6-bis(2H-1,3-benzodioxol-5-yl)thieno[2,3-b]pyridine-2-carboxamide

5350-1056 Screening compound: 3-amino-N,6-bis(2H-1,3-benzodioxol-5-yl)thieno[2,3-b]pyridine-2-carboxamide
5350-1056 Screening compound: 3-amino-N,6-bis(2H-1,3-benzodioxol-5-yl)thieno[2,3-b]pyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5350-1056
3-amino-N,6-bis(2H-1,3-benzodioxol-5-yl)thieno[2,3-b]pyridine-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

5350-1056

Molecular Formula

C22H15N3O5S (C22 H15 N3 O5 S)

Compound Name

3-amino-N,6-bis(2H-1,3-benzodioxol-5-yl)thieno[2,3-b]pyridine-2-carboxamide

IUPAC name

3-amino-N6-bis(2H-13-benzodioxol-5-yl)thieno[23-b]pyridine-2-carboxamide

SMILES

Nc1c(C(Nc(cc2)cc3c2OCO3)=O)sc2nc(-c(cc3)cc4c3OCO4)ccc12

InChI

InChI=1S/C22H15N3O5S/c23-19-13-3-4-14(11-1-5-15-17(7-11)29-9-27-15)25-22(13)31-20(19)21(26)24-12-2-6-16-18(8-12)30-10-28-16/h1-8H,9-10,23H2,(H,24,26)

InChI Key

HPOVPCCETJAAKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03304419

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.676

Distribution Coefficient, logD

4.667

Water Solubility, LogSw

-4.90

Polar Surface Area

86.396

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

5.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

5350-1056 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

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

CORONAVIRUS Library (20774 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 5350-1056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5350-1056?
Check Price and Availability of 5350-1056, 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 5350-1056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5350-1056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5350-1056
  • 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 5350-1056 available by request