C200-7230 Screening compound: 1-[(3-methoxybenzyl)sulfanyl]-4-(tetrahydro-2-furanylmethyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

C200-7230 Screening compound: 1-[(3-methoxybenzyl)sulfanyl]-4-(tetrahydro-2-furanylmethyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
C200-7230 Screening compound: 1-[(3-methoxybenzyl)sulfanyl]-4-(tetrahydro-2-furanylmethyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-7230
1-[(3-methoxybenzyl)sulfanyl]-4-(tetrahydro-2-furanylmethyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-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

C200-7230

Molecular Formula

C20H20N4O3S2 (C20 H20 N4 O3 S2)

Compound Name

1-[(3-methoxybenzyl)sulfanyl]-4-(tetrahydro-2-furanylmethyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

IUPAC name

12-{[(3-methoxyphenyl)methyl]sulfanyl}-8-[(oxolan-2-yl)methyl]-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)3911-tetraen-7-one

SMILES

COc1cccc(CSc(n2-c3c4scc3)nnc2N(CC2OCCC2)C4=O)c1

InChI

InChI=1S/C20H20N4O3S2/c1-26-14-5-2-4-13(10-14)12-29-20-22-21-19-23(11-15-6-3-8-27-15)18(25)17-16(24(19)20)7-9-28-17/h2,4-5,7,9-10,15H,3,6,8,11-12H2,1H3/t15-/m1/s1

InChI Key

OZRSTDLTKXYWPJ-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD26962092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.208

Distribution Coefficient, logD

3.208

Water Solubility, LogSw

-3.39

Polar Surface Area

56.528

Acid Dissociation Constant (pKa)

23.54

Base Dissociation Constant (pKb)

-4.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

C200-7230 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

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

Immunological Library (6760 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Immune system
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Targets:
  • Others

References: we are preparing a list of scientific research reports with C200-7230 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-7230?
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What is the minimum amount of C200-7230 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-7230
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-7230
  • 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 C200-7230 available by request