E213-1424 Screening compound: 1,3-dimethyl 5-(4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-amido)benzene-1,3-dicarboxylate

E213-1424 Screening compound: 1,3-dimethyl 5-(4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-amido)benzene-1,3-dicarboxylate
E213-1424 Screening compound: 1,3-dimethyl 5-(4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-amido)benzene-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E213-1424
1,3-dimethyl 5-(4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-amido)benzene-1,3-dicarboxylate

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

E213-1424

Molecular Formula

C20H17NO6S (C20 H17 NO6 S)

Compound Name

1,3-dimethyl 5-(4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-amido)benzene-1,3-dicarboxylate

IUPAC name

13-dimethyl 5-(4-oxo-34-dihydro-2H-1-benzothiopyran-8-amido)benzene-13-dicarboxylate

SMILES

COC(c1cc(NC(c2cccc3c2SCCC3=O)=O)cc(C(OC)=O)c1)=O

InChI

InChI=1S/C20H17NO6S/c1-26-19(24)11-8-12(20(25)27-2)10-13(9-11)21-18(23)15-5-3-4-14-16(22)6-7-28-17(14)15/h3-5,8-10H,6-7H2,1-2H3,(H,21,23)

InChI Key

STPPQQBYVOJNDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14847611

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.42

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.520

Distribution Coefficient, logD

3.518

Water Solubility, LogSw

-3.88

Polar Surface Area

78.846

Acid Dissociation Constant (pKa)

9.76

Base Dissociation Constant (pKb)

-6.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

E213-1424 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral HBV Library (10007 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E213-1424 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E213-1424?
Check Price and Availability of E213-1424, 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 E213-1424 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E213-1424
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E213-1424
  • 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 E213-1424 available by request