3810-0323 Screening compound: 2-methoxy-4-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenyl 4-fluorobenzoate

3810-0323 Screening compound: 2-methoxy-4-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenyl 4-fluorobenzoate
3810-0323 Screening compound: 2-methoxy-4-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenyl 4-fluorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3810-0323
2-methoxy-4-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenyl 4-fluorobenzoate

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

3810-0323

Molecular Formula

C24H19FN2O4S (C24 H19 FN2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc(cc1)C(N2)=Nc(sc3c4CCCC3)c4C2=O)c1OC(c(cc1)ccc1F)=O

InChI

InChI=1S/C24H19FN2O4S/c1-30-18-12-14(8-11-17(18)31-24(29)13-6-9-15(25)10-7-13)21-26-22(28)20-16-4-2-3-5-19(16)32-23(20)27-21/h6-12H,2-5H2,1H3,(H,26,27,28)

InChI Key

IEWTXTXHNMZJCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03135511

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.778

Distribution Coefficient, logD

4.771

Water Solubility, LogSw

-4.82

Polar Surface Area

62.809

Acid Dissociation Constant (pKa)

9.23

Base Dissociation Constant (pKb)

2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

3810-0323 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Protein Arginine Methyltransferases Library (27925 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

References: we are preparing a list of scientific research reports with 3810-0323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3810-0323?
Check Price and Availability of 3810-0323, 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 3810-0323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3810-0323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3810-0323
  • 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 3810-0323 available by request