F815-0462 Screening compound: 2-{2-[3,4-dihydro-2(1H)-isoquinolinyl]-2-oxoethyl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one

F815-0462 Screening compound: 2-{2-[3,4-dihydro-2(1H)-isoquinolinyl]-2-oxoethyl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
F815-0462 Screening compound: 2-{2-[3,4-dihydro-2(1H)-isoquinolinyl]-2-oxoethyl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F815-0462
2-{2-[3,4-dihydro-2(1H)-isoquinolinyl]-2-oxoethyl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-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

F815-0462

Molecular Formula

C22H21N5O2S (C22 H21 N5 O2 S)

Compound Name

2-{2-[3,4-dihydro-2(1H)-isoquinolinyl]-2-oxoethyl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one

IUPAC name

4-[2-oxo-2-(1234-tetrahydroisoquinolin-2-yl)ethyl]-10-thia-3468-tetraazatetracyclo[7.7.0.0^{26}.0^{1116}]hexadeca-1(9)2711(16)-tetraen-5-one

SMILES

O=C(CN1N=C(c2c(N=C3)sc4c2CCCC4)N3C1=O)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C22H21N5O2S/c28-18(25-10-9-14-5-1-2-6-15(14)11-25)12-27-22(29)26-13-23-21-19(20(26)24-27)16-7-3-4-8-17(16)30-21/h1-2,5-6,13H,3-4,7-12H2

InChI Key

UEEGQMXRWFPTLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16636986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.126

Distribution Coefficient, logD

3.126

Water Solubility, LogSw

-3.24

Polar Surface Area

57.565

Acid Dissociation Constant (pKa)

18.44

Base Dissociation Constant (pKb)

3.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

F815-0462 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F815-0462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F815-0462?
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What is the minimum amount of F815-0462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F815-0462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F815-0462
  • 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 F815-0462 available by request