8019-5071 Screening compound: 2-amino-7-(3-bromo-4-methoxyphenyl)-4H,5H,6H,7H-[1,3]thiazolo[4,5-b]pyridin-5-one

8019-5071 Screening compound: 2-amino-7-(3-bromo-4-methoxyphenyl)-4H,5H,6H,7H-[1,3]thiazolo[4,5-b]pyridin-5-one
8019-5071 Screening compound: 2-amino-7-(3-bromo-4-methoxyphenyl)-4H,5H,6H,7H-[1,3]thiazolo[4,5-b]pyridin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-5071
2-amino-7-(3-bromo-4-methoxyphenyl)-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

8019-5071

Molecular Formula

C13H12BrN3O2S (C13 H12 BrN3 O2 S)

Compound Name

2-amino-7-(3-bromo-4-methoxyphenyl)-4H,5H,6H,7H-[1,3]thiazolo[4,5-b]pyridin-5-one

IUPAC name

2-amino-7-(3-bromo-4-methoxyphenyl)-4H5H6H7H-[13]thiazolo[45-b]pyridin-5-one

SMILES

COc(ccc(C(CC(N1)=O)c2c1nc(N)s2)c1)c1Br

InChI

InChI=1S/C13H12BrN3O2S/c1-19-9-3-2-6(4-8(9)14)7-5-10(18)16-12-11(7)20-13(15)17-12/h2-4,7H,5H2,1H3,(H2,15,17)(H,16,18)/t7-/m1/s1

InChI Key

FNYKNMKVCCMXGT-SSDOTTSWSA-N

MDL Number (MFCD)

MFCD10037991

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.23

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.365

Distribution Coefficient, logD

2.365

Water Solubility, LogSw

-3.13

Polar Surface Area

63.797

Acid Dissociation Constant (pKa)

11.80

Base Dissociation Constant (pKb)

0.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

8019-5071 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Nervous system
  • Cardiovascular
Targets:
  • Others
  • Ion Channels

References: we are preparing a list of scientific research reports with 8019-5071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-5071?
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What is the minimum amount of 8019-5071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-5071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-5071
  • 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 8019-5071 available by request