3949-2508 Screening compound: 2-{3-chloro-4-[(2-fluorobenzyl)oxy]-5-methoxyphenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

3949-2508 Screening compound: 2-{3-chloro-4-[(2-fluorobenzyl)oxy]-5-methoxyphenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
3949-2508 Screening compound: 2-{3-chloro-4-[(2-fluorobenzyl)oxy]-5-methoxyphenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3949-2508
2-{3-chloro-4-[(2-fluorobenzyl)oxy]-5-methoxyphenyl}-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

3949-2508

Molecular Formula

C24H20ClFN2O3S (C24 H20 ClFN2 O3 S)

Compound Name

2-{3-chloro-4-[(2-fluorobenzyl)oxy]-5-methoxyphenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

IUPAC name

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

SMILES

COc1cc(C(N2)=Nc(sc3c4CCCC3)c4C2=O)cc(Cl)c1OCc(cccc1)c1F

InChI

InChI=1S/C24H20ClFN2O3S/c1-30-18-11-14(10-16(25)21(18)31-12-13-6-2-4-8-17(13)26)22-27-23(29)20-15-7-3-5-9-19(15)32-24(20)28-22/h2,4,6,8,10-11H,3,5,7,9,12H2,1H3,(H,27,28,29)

InChI Key

MAAXSIHFIQKXBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02950962

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.95

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

5.698

Distribution Coefficient, logD

5.650

Water Solubility, LogSw

-6.05

Polar Surface Area

49.745

Acid Dissociation Constant (pKa)

8.33

Base Dissociation Constant (pKb)

2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

3949-2508 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 3949-2508 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3949-2508?
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What is the minimum amount of 3949-2508 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3949-2508
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3949-2508
  • 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 3949-2508 available by request