E210-0066 Screening compound: 2-(7-hydroxy-2-oxo-2H-chromen-3-yl)-5-methyl-N-(3-methylphenyl)-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

E210-0066 Screening compound: 2-(7-hydroxy-2-oxo-2H-chromen-3-yl)-5-methyl-N-(3-methylphenyl)-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
E210-0066 Screening compound: 2-(7-hydroxy-2-oxo-2H-chromen-3-yl)-5-methyl-N-(3-methylphenyl)-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E210-0066
2-(7-hydroxy-2-oxo-2H-chromen-3-yl)-5-methyl-N-(3-methylphenyl)-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

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

E210-0066

Molecular Formula

C24H17N3O5S (C24 H17 N3 O5 S)

Compound Name

2-(7-hydroxy-2-oxo-2H-chromen-3-yl)-5-methyl-N-(3-methylphenyl)-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

IUPAC name

2-(7-hydroxy-2-oxo-2H-chromen-3-yl)-5-methyl-N-(3-methylphenyl)-4-oxo-3H4H-thieno[23-d]pyrimidine-6-carboxamide

SMILES

Cc1c(C(Nc2cc(C)ccc2)=O)sc(N=C(C2=Cc(ccc(O)c3)c3OC2=O)N2)c1C2=O

InChI

InChI=1S/C24H17N3O5S/c1-11-4-3-5-14(8-11)25-22(30)19-12(2)18-21(29)26-20(27-23(18)33-19)16-9-13-6-7-15(28)10-17(13)32-24(16)31/h3-10,28H,1-2H3,(H,25,30)(H,26,27,29)

InChI Key

AHBXKUXNJSLOSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14847050

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.357

Distribution Coefficient, logD

2.271

Water Solubility, LogSw

-3.68

Polar Surface Area

96.423

Acid Dissociation Constant (pKa)

6.35

Base Dissociation Constant (pKb)

-2.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

E210-0066 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Carbonic Anhydrase II Library (4939 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E210-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E210-0066?
Check Price and Availability of E210-0066, 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 E210-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E210-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E210-0066
  • 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 E210-0066 available by request