3810-0873 Screening compound: 2-(3-methoxy-4-{2-[2-(2-methylphenoxy)ethoxy]ethoxy}phenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

3810-0873 Screening compound: 2-(3-methoxy-4-{2-[2-(2-methylphenoxy)ethoxy]ethoxy}phenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
3810-0873 Screening compound: 2-(3-methoxy-4-{2-[2-(2-methylphenoxy)ethoxy]ethoxy}phenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3810-0873
2-(3-methoxy-4-{2-[2-(2-methylphenoxy)ethoxy]ethoxy}phenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-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

3810-0873

Molecular Formula

C28H30N2O5S (C28 H30 N2 O5 S)

Compound Name

2-(3-methoxy-4-{2-[2-(2-methylphenoxy)ethoxy]ethoxy}phenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

IUPAC name

5-(3-methoxy-4-{2-[2-(2-methylphenoxy)ethoxy]ethoxy}phenyl)-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-3-one

SMILES

Cc(cccc1)c1OCCOCCOc(ccc(C(N1)=Nc(sc2c3CCCC2)c3C1=O)c1)c1OC

InChI

InChI=1S/C28H30N2O5S/c1-18-7-3-5-9-21(18)34-15-13-33-14-16-35-22-12-11-19(17-23(22)32-2)26-29-27(31)25-20-8-4-6-10-24(20)36-28(25)30-26/h3,5,7,9,11-12,17H,4,6,8,10,13-16H2,1-2H3,(H,29,30,31)

InChI Key

QXTQKQBCZDXKPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03184360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.050

Distribution Coefficient, logD

5.043

Water Solubility, LogSw

-4.82

Polar Surface Area

65.353

Acid Dissociation Constant (pKa)

9.23

Base Dissociation Constant (pKb)

2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

3810-0873 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3810-0873 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3810-0873?
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What is the minimum amount of 3810-0873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3810-0873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3810-0873
  • 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 3810-0873 available by request