E210-0005 Screening compound: 7-(tert-butyl)-2-(8-methoxy-2-oxo-2H-chromen-3-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

E210-0005 Screening compound: 7-(tert-butyl)-2-(8-methoxy-2-oxo-2H-chromen-3-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
E210-0005 Screening compound: 7-(tert-butyl)-2-(8-methoxy-2-oxo-2H-chromen-3-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E210-0005
7-(tert-butyl)-2-(8-methoxy-2-oxo-2H-chromen-3-yl)-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

E210-0005

Molecular Formula

C24H24N2O4S (C24 H24 N2 O4 S)

Compound Name

7-(tert-butyl)-2-(8-methoxy-2-oxo-2H-chromen-3-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

IUPAC name

11-tert-butyl-5-(8-methoxy-2-oxo-2H-chromen-3-yl)-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-3-one

SMILES

CC(C)(C)C(CC1)Cc2c1c(C(NC(C1=Cc(cccc3OC)c3OC1=O)=N1)=O)c1s2

InChI

InChI=1S/C24H24N2O4S/c1-24(2,3)13-8-9-14-17(11-13)31-22-18(14)21(27)25-20(26-22)15-10-12-6-5-7-16(29-4)19(12)30-23(15)28/h5-7,10,13H,8-9,11H2,1-4H3,(H,25,26,27)/t13-/m1/s1

InChI Key

FVFZVTRCAMTENA-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD14847028

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.824

Distribution Coefficient, logD

4.117

Water Solubility, LogSw

-4.73

Polar Surface Area

62.950

Acid Dissociation Constant (pKa)

6.79

Base Dissociation Constant (pKb)

-5.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

E210-0005 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with E210-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E210-0005?
Check Price and Availability of E210-0005, 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 E210-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E210-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E210-0005
  • 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 E210-0005 available by request