3810-0139 Screening compound: 2-[5-(3-chloro-4-fluorophenyl)-2-furyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

3810-0139 Screening compound: 2-[5-(3-chloro-4-fluorophenyl)-2-furyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
3810-0139 Screening compound: 2-[5-(3-chloro-4-fluorophenyl)-2-furyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3810-0139
2-[5-(3-chloro-4-fluorophenyl)-2-furyl]-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

3810-0139

Molecular Formula

C20H14ClFN2O2S (C20 H14 ClFN2 O2 S)

Compound Name

2-[5-(3-chloro-4-fluorophenyl)-2-furyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

IUPAC name

5-[5-(3-chloro-4-fluorophenyl)furan-2-yl]-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-3-one

SMILES

O=C1NC(c2ccc(-c(cc3)cc(Cl)c3F)o2)=Nc2c1c(CCCC1)c1s2

InChI

InChI=1S/C20H14ClFN2O2S/c21-12-9-10(5-6-13(12)22)14-7-8-15(26-14)18-23-19(25)17-11-3-1-2-4-16(11)27-20(17)24-18/h5-9H,1-4H2,(H,23,24,25)

InChI Key

ZJTANBLTPASQAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14708749

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.86

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.205

Distribution Coefficient, logD

5.200

Water Solubility, LogSw

-6.15

Polar Surface Area

43.113

Acid Dissociation Constant (pKa)

9.34

Base Dissociation Constant (pKb)

1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

3810-0139 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Others
  • Phosphatases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3810-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3810-0139?
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What is the minimum amount of 3810-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3810-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3810-0139
  • 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 3810-0139 available by request