5350-1049 Screening compound: 3-amino-6-(2H-1,3-benzodioxol-5-yl)-N-(4-bromophenyl)thieno[2,3-b]pyridine-2-carboxamide

5350-1049 Screening compound: 3-amino-6-(2H-1,3-benzodioxol-5-yl)-N-(4-bromophenyl)thieno[2,3-b]pyridine-2-carboxamide
5350-1049 Screening compound: 3-amino-6-(2H-1,3-benzodioxol-5-yl)-N-(4-bromophenyl)thieno[2,3-b]pyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5350-1049
3-amino-6-(2H-1,3-benzodioxol-5-yl)-N-(4-bromophenyl)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

5350-1049

Molecular Formula

C21H14BrN3O3S (C21 H14 BrN3 O3 S)

Compound Name

3-amino-6-(2H-1,3-benzodioxol-5-yl)-N-(4-bromophenyl)thieno[2,3-b]pyridine-2-carboxamide

IUPAC name

3-amino-6-(2H-13-benzodioxol-5-yl)-N-(4-bromophenyl)thieno[23-b]pyridine-2-carboxamide

SMILES

Nc1c(C(Nc(cc2)ccc2Br)=O)sc2c1ccc(-c(cc1)cc3c1OCO3)n2

InChI

InChI=1S/C21H14BrN3O3S/c22-12-2-4-13(5-3-12)24-20(26)19-18(23)14-6-7-15(25-21(14)29-19)11-1-8-16-17(9-11)28-10-27-16/h1-9H,10,23H2,(H,24,26)

InChI Key

GVXRFMIEJZELSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03305012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.676

Distribution Coefficient, logD

5.667

Water Solubility, LogSw

-6.07

Polar Surface Area

69.280

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

5.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

5350-1049 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5350-1049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5350-1049?
Check Price and Availability of 5350-1049, 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 5350-1049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5350-1049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5350-1049
  • 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 5350-1049 available by request