8020-0379 Screening compound: 7-(3,4-dihydroxy-2,5-dimethoxyphenyl)-2-(ethylamino)-4H,5H,6H,7H-[1,3]thiazolo[4,5-b]pyridin-5-one

8020-0379 Screening compound: 7-(3,4-dihydroxy-2,5-dimethoxyphenyl)-2-(ethylamino)-4H,5H,6H,7H-[1,3]thiazolo[4,5-b]pyridin-5-one
8020-0379 Screening compound: 7-(3,4-dihydroxy-2,5-dimethoxyphenyl)-2-(ethylamino)-4H,5H,6H,7H-[1,3]thiazolo[4,5-b]pyridin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-0379
7-(3,4-dihydroxy-2,5-dimethoxyphenyl)-2-(ethylamino)-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

8020-0379

Molecular Formula

C16H19N3O5S (C16 H19 N3 O5 S)

Compound Name

7-(3,4-dihydroxy-2,5-dimethoxyphenyl)-2-(ethylamino)-4H,5H,6H,7H-[1,3]thiazolo[4,5-b]pyridin-5-one

IUPAC name

7-(34-dihydroxy-25-dimethoxyphenyl)-2-(ethylamino)-4H5H6H7H-[13]thiazolo[45-b]pyridin-5-one

SMILES

CCNc1nc(NC(CC2c(cc(c(O)c3O)OC)c3OC)=O)c2s1

InChI

InChI=1S/C16H19N3O5S/c1-4-17-16-19-15-14(25-16)8(6-10(20)18-15)7-5-9(23-2)11(21)12(22)13(7)24-3/h5,8,21-22H,4,6H2,1-3H3,(H,17,19)(H,18,20)/t8-/m1/s1

InChI Key

QOVVWDNNFVNGQW-MRVPVSSYSA-N

MDL Number (MFCD)

MFCD12034743

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.071

Distribution Coefficient, logD

2.066

Water Solubility, LogSw

-2.73

Polar Surface Area

91.848

Acid Dissociation Constant (pKa)

9.29

Base Dissociation Constant (pKb)

0.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

8020-0379 in Drug Discovery

Included in Screening Libraries

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

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8020-0379 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-0379?
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What is the minimum amount of 8020-0379 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-0379
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-0379
  • 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 8020-0379 available by request