8010-7885 Screening compound: ethyl 2-[2-methoxy-4-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenoxy]acetate

8010-7885 Screening compound: ethyl 2-[2-methoxy-4-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenoxy]acetate
8010-7885 Screening compound: ethyl 2-[2-methoxy-4-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenoxy]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-7885
ethyl 2-[2-methoxy-4-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenoxy]acetate

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

8010-7885

Molecular Formula

C21H22N2O5S (C21 H22 N2 O5 S)

Compound Name

ethyl 2-[2-methoxy-4-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenoxy]acetate

IUPAC name

ethyl 2-(2-methoxy-4-{3-oxo-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-5-yl}phenoxy)acetate

SMILES

CCOC(COc(ccc(C(N1)=Nc(sc2c3CCCC2)c3C1=O)c1)c1OC)=O

InChI

InChI=1S/C21H22N2O5S/c1-3-27-17(24)11-28-14-9-8-12(10-15(14)26-2)19-22-20(25)18-13-6-4-5-7-16(13)29-21(18)23-19/h8-10H,3-7,11H2,1-2H3,(H,22,23,25)

InChI Key

GBBICKVSXXJOQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02107109

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.128

Distribution Coefficient, logD

3.122

Water Solubility, LogSw

-3.54

Polar Surface Area

70.089

Acid Dissociation Constant (pKa)

9.23

Base Dissociation Constant (pKb)

2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

8010-7885 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 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
Targets:
  • Others
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8010-7885 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-7885?
Check Price and Availability of 8010-7885, 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 8010-7885 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-7885
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-7885
  • 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 8010-7885 available by request