3949-2193 Screening compound: 2-{3-chloro-5-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

3949-2193 Screening compound: 2-{3-chloro-5-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
3949-2193 Screening compound: 2-{3-chloro-5-ethoxy-4-[2-(2-methoxyphenoxy)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 3949-2193
2-{3-chloro-5-ethoxy-4-[2-(2-methoxyphenoxy)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

3949-2193

Molecular Formula

C27H27ClN2O5S (C27 H27 ClN2 O5 S)

Compound Name

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

IUPAC name

5-{3-chloro-5-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]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(Cl)c1OCCOc(cccc1)c1OC

InChI

InChI=1S/C27H27ClN2O5S/c1-3-33-21-15-16(25-29-26(31)23-17-8-4-7-11-22(17)36-27(23)30-25)14-18(28)24(21)35-13-12-34-20-10-6-5-9-19(20)32-2/h5-6,9-10,14-15H,3-4,7-8,11-13H2,1-2H3,(H,29,30,31)

InChI Key

UDJSOAGHDSAYME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02955401

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.04

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.412

Distribution Coefficient, logD

5.364

Water Solubility, LogSw

-6.03

Polar Surface Area

64.378

Acid Dissociation Constant (pKa)

8.33

Base Dissociation Constant (pKb)

2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

3949-2193 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 3949-2193 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3949-2193?
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What is the minimum amount of 3949-2193 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3949-2193
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3949-2193
  • 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 3949-2193 available by request