8013-0424 Screening compound: 2-(3,4-dichlorophenyl)-9-(methoxymethyl)-7-methyl-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one

8013-0424 Screening compound: 2-(3,4-dichlorophenyl)-9-(methoxymethyl)-7-methyl-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one
8013-0424 Screening compound: 2-(3,4-dichlorophenyl)-9-(methoxymethyl)-7-methyl-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-0424
2-(3,4-dichlorophenyl)-9-(methoxymethyl)-7-methyl-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-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

8013-0424

Molecular Formula

C18H15Cl2N3O2S (C18 H15 Cl2 N3 O2 S)

Compound Name

2-(3,4-dichlorophenyl)-9-(methoxymethyl)-7-methyl-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one

IUPAC name

4-(34-dichlorophenyl)-13-(methoxymethyl)-11-methyl-8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)911-tetraen-6-one

SMILES

Cc1cc(COC)c(c(NC(c(cc2)cc(Cl)c2Cl)NC2=O)c2s2)c2n1

InChI

InChI=1S/C18H15Cl2N3O2S/c1-8-5-10(7-25-2)13-14-15(26-18(13)21-8)17(24)23-16(22-14)9-3-4-11(19)12(20)6-9/h3-6,16,22H,7H2,1-2H3,(H,23,24)/t16-/m0/s1

InChI Key

ZAXAVXVYFINYGA-INIZCTEOSA-N

MDL Number (MFCD)

MFCD03408503

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.955

Distribution Coefficient, logD

3.951

Water Solubility, LogSw

-4.39

Polar Surface Area

52.076

Acid Dissociation Constant (pKa)

11.37

Base Dissociation Constant (pKb)

5.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

8013-0424 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8013-0424 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-0424?
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What is the minimum amount of 8013-0424 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-0424
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-0424
  • 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 8013-0424 available by request