8016-5357 Screening compound: 2-[9-fluoro-5-oxo-2,3-dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4-b]indol-6(5H)-yl]-N~1~-(3-methyl-1H-pyrazol-5-yl)acetamide

8016-5357 Screening compound: 2-[9-fluoro-5-oxo-2,3-dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4-b]indol-6(5H)-yl]-N~1~-(3-methyl-1H-pyrazol-5-yl)acetamide
8016-5357 Screening compound: 2-[9-fluoro-5-oxo-2,3-dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4-b]indol-6(5H)-yl]-N~1~-(3-methyl-1H-pyrazol-5-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-5357
2-[9-fluoro-5-oxo-2,3-dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4-b]indol-6(5H)-yl]-N~1~-(3-methyl-1H-pyrazol-5-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

8016-5357

Molecular Formula

C18H15FN6O2S (C18 H15 FN6 O2 S)

Compound Name

2-[9-fluoro-5-oxo-2,3-dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4-b]indol-6(5H)-yl]-N~1~-(3-methyl-1H-pyrazol-5-yl)acetamide

IUPAC name

2-{4-fluoro-10-oxo-14-thia-81116-triazatetracyclo[7.7.0.0^{27}.0^{1115}]hexadeca-1(9)24615-pentaen-8-yl}-N-(3-methyl-1H-pyrazol-5-yl)acetamide

SMILES

Cc1n[nH]c(NC(Cn(c(cc2)c3cc2F)c2c3N=C3SCCN3C2=O)=O)c1

InChI

InChI=1S/C18H15FN6O2S/c1-9-6-13(23-22-9)20-14(26)8-25-12-3-2-10(19)7-11(12)15-16(25)17(27)24-4-5-28-18(24)21-15/h2-3,6-7H,4-5,8H2,1H3,(H2,20,22,23,26)

InChI Key

QJPJOMLPTRMXMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05857153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.42

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

1.706

Distribution Coefficient, logD

1.705

Water Solubility, LogSw

-2.60

Polar Surface Area

71.231

Acid Dissociation Constant (pKa)

9.87

Base Dissociation Constant (pKb)

1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

8016-5357 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

DGK Inhibitors Library (10558 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Cancer
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Proteases
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8016-5357 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-5357?
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What is the minimum amount of 8016-5357 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-5357
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-5357
  • 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 8016-5357 available by request