3949-2512 Screening compound: 2-{3-bromo-5-ethoxy-4-[(2-fluorobenzyl)oxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

3949-2512 Screening compound: 2-{3-bromo-5-ethoxy-4-[(2-fluorobenzyl)oxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
3949-2512 Screening compound: 2-{3-bromo-5-ethoxy-4-[(2-fluorobenzyl)oxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3949-2512
2-{3-bromo-5-ethoxy-4-[(2-fluorobenzyl)oxy]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

3949-2512

Molecular Formula

C25H22BrFN2O3S (C25 H22 BrFN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc1cc(C(N2)=Nc(sc3c4CCCC3)c4C2=O)cc(Br)c1OCc(cccc1)c1F

InChI

InChI=1S/C25H22BrFN2O3S/c1-2-31-19-12-15(11-17(26)22(19)32-13-14-7-3-5-9-18(14)27)23-28-24(30)21-16-8-4-6-10-20(16)33-25(21)29-23/h3,5,7,9,11-12H,2,4,6,8,10,13H2,1H3,(H,28,29,30)

InChI Key

YCFNFPFHBTVZIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02236967

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.273

Distribution Coefficient, logD

6.225

Water Solubility, LogSw

-5.40

Polar Surface Area

49.325

Acid Dissociation Constant (pKa)

8.33

Base Dissociation Constant (pKb)

2.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

3949-2512 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 3949-2512 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3949-2512?
Check Price and Availability of 3949-2512, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3949-2512 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3949-2512
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3949-2512
  • 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 3949-2512 available by request