F464-0463 Screening compound: N~1~-(4-methylbenzyl)-2-[2-methyl-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]acetamide

F464-0463 Screening compound: N~1~-(4-methylbenzyl)-2-[2-methyl-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]acetamide
F464-0463 Screening compound: N~1~-(4-methylbenzyl)-2-[2-methyl-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F464-0463
N~1~-(4-methylbenzyl)-2-[2-methyl-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-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

F464-0463

Molecular Formula

C21H19N3O2S (C21 H19 N3 O2 S)

Compound Name

N~1~-(4-methylbenzyl)-2-[2-methyl-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]acetamide

IUPAC name

2-{4-methyl-6-oxo-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)3911-pentaen-5-yl}-N-[(4-methylphenyl)methyl]acetamide

SMILES

Cc1ccc(CNC(CN(C(C)=Nc2c3sc4c2cccc4)C3=O)=O)cc1

InChI

InChI=1S/C21H19N3O2S/c1-13-7-9-15(10-8-13)11-22-18(25)12-24-14(2)23-19-16-5-3-4-6-17(16)27-20(19)21(24)26/h3-10H,11-12H2,1-2H3,(H,22,25)

InChI Key

GIXMYMZVXBRGTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11995714

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.533

Distribution Coefficient, logD

3.533

Water Solubility, LogSw

-3.66

Polar Surface Area

47.352

Acid Dissociation Constant (pKa)

13.22

Base Dissociation Constant (pKb)

1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

F464-0463 in Drug Discovery

Included in Screening Libraries

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

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with F464-0463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F464-0463?
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What is the minimum amount of F464-0463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F464-0463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F464-0463
  • 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 F464-0463 available by request