8020-7191 Screening compound: 2-[4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-1-isopropyl-6-oxo-1H-pyrazolo[3,4-b][1,3]thiazolo[5,4-e]pyridin-7(6H)-yl]acetamide

8020-7191 Screening compound: 2-[4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-1-isopropyl-6-oxo-1H-pyrazolo[3,4-b][1,3]thiazolo[5,4-e]pyridin-7(6H)-yl]acetamide
8020-7191 Screening compound: 2-[4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-1-isopropyl-6-oxo-1H-pyrazolo[3,4-b][1,3]thiazolo[5,4-e]pyridin-7(6H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-7191
2-[4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-1-isopropyl-6-oxo-1H-pyrazolo[3,4-b][1,3]thiazolo[5,4-e]pyridin-7(6H)-yl]acetamide

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

8020-7191

Molecular Formula

C21H21N5O6S (C21 H21 N5 O6 S)

Compound Name

2-[4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-1-isopropyl-6-oxo-1H-pyrazolo[3,4-b][1,3]thiazolo[5,4-e]pyridin-7(6H)-yl]acetamide

IUPAC name

2-[8-(47-dimethoxy-2H-13-benzodioxol-5-yl)-11-oxo-4-(propan-2-yl)-10-thia-24512-tetraazatricyclo[7.3.0.0^{37}]dodeca-13(7)58-tetraen-12-yl]acetamide

SMILES

CC(C)n1ncc(c(-c(cc(c2c3OCO2)OC)c3OC)c2S3)c1nc2N(CC(N)=O)C3=O

InChI

InChI=1S/C21H21N5O6S/c1-9(2)26-19-11(6-23-26)14(18-20(24-19)25(7-13(22)27)21(28)33-18)10-5-12(29-3)16-17(15(10)30-4)32-8-31-16/h5-6,9H,7-8H2,1-4H3,(H2,22,27)

InChI Key

WNRIQRLJVBEROC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26098785

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.49

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.797

Distribution Coefficient, logD

2.797

Water Solubility, LogSw

-3.24

Polar Surface Area

105.960

Acid Dissociation Constant (pKa)

15.70

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

8020-7191 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8020-7191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-7191?
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What is the minimum amount of 8020-7191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-7191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-7191
  • 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 8020-7191 available by request