8018-4054 Screening compound: 2-amino-4-{4-[(3-fluorobenzyl)oxy]phenyl}-5-oxo-5H-pyrido[3,2-e][1,3]thiazolo[3,2-a]pyrimidin-3-yl cyanide

8018-4054 Screening compound: 2-amino-4-{4-[(3-fluorobenzyl)oxy]phenyl}-5-oxo-5H-pyrido[3,2-e][1,3]thiazolo[3,2-a]pyrimidin-3-yl cyanide
8018-4054 Screening compound: 2-amino-4-{4-[(3-fluorobenzyl)oxy]phenyl}-5-oxo-5H-pyrido[3,2-e][1,3]thiazolo[3,2-a]pyrimidin-3-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-4054
2-amino-4-{4-[(3-fluorobenzyl)oxy]phenyl}-5-oxo-5H-pyrido[3,2-e][1,3]thiazolo[3,2-a]pyrimidin-3-yl cyanide

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

8018-4054

Molecular Formula

C23H14FN5O2S (C23 H14 FN5 O2 S)

Compound Name

2-amino-4-{4-[(3-fluorobenzyl)oxy]phenyl}-5-oxo-5H-pyrido[3,2-e][1,3]thiazolo[3,2-a]pyrimidin-3-yl cyanide

IUPAC name

12-amino-10-{4-[(3-fluorophenyl)methoxy]phenyl}-8-oxo-5-thia-2713-triazatricyclo[7.4.0.0^{26}]trideca-1(9)361012-pentaene-11-carbonitrile

SMILES

Nc(c(C#N)c1-c(cc2)ccc2OCc2cc(F)ccc2)nc(N(C=CS2)C2=N2)c1C2=O

InChI

InChI=1S/C23H14FN5O2S/c24-15-3-1-2-13(10-15)12-31-16-6-4-14(5-7-16)18-17(11-25)20(26)27-21-19(18)22(30)28-23-29(21)8-9-32-23/h1-10H,12H2,(H2,26,27)

InChI Key

IUOVPYDHUQHEMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07658525

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.491

Distribution Coefficient, logD

3.491

Water Solubility, LogSw

-4.09

Polar Surface Area

79.799

Acid Dissociation Constant (pKa)

16.68

Base Dissociation Constant (pKb)

2.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

8018-4054 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antimitotic Tubulin Library (17355 compounds)

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8018-4054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-4054?
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What is the minimum amount of 8018-4054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-4054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-4054
  • 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 8018-4054 available by request