8020-4881 Screening compound: 7-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-2-(methylamino)-4H,5H,6H,7H-[1,3]thiazolo[4,5-b]pyridin-5-one

8020-4881 Screening compound: 7-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-2-(methylamino)-4H,5H,6H,7H-[1,3]thiazolo[4,5-b]pyridin-5-one
8020-4881 Screening compound: 7-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-2-(methylamino)-4H,5H,6H,7H-[1,3]thiazolo[4,5-b]pyridin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-4881
7-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-2-(methylamino)-4H,5H,6H,7H-[1,3]thiazolo[4,5-b]pyridin-5-one

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

8020-4881

Molecular Formula

C16H17N3O5S (C16 H17 N3 O5 S)

Compound Name

7-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-2-(methylamino)-4H,5H,6H,7H-[1,3]thiazolo[4,5-b]pyridin-5-one

IUPAC name

7-(47-dimethoxy-2H-13-benzodioxol-5-yl)-2-(methylamino)-4H5H6H7H-[13]thiazolo[45-b]pyridin-5-one

SMILES

CNc1nc(NC(CC2c(cc(c3c4OCO3)OC)c4OC)=O)c2s1

InChI

InChI=1S/C16H17N3O5S/c1-17-16-19-15-14(25-16)8(5-10(20)18-15)7-4-9(21-2)12-13(11(7)22-3)24-6-23-12/h4,8H,5-6H2,1-3H3,(H,17,19)(H,18,20)/t8-/m1/s1

InChI Key

AEMVPRKKJSFAMB-MRVPVSSYSA-N

MDL Number (MFCD)

MFCD25975920

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.953

Distribution Coefficient, logD

1.953

Water Solubility, LogSw

-2.84

Polar Surface Area

77.898

Acid Dissociation Constant (pKa)

11.98

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

8020-4881 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 8020-4881 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-4881?
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What is the minimum amount of 8020-4881 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-4881
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-4881
  • 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 8020-4881 available by request