E213-0386 Screening compound: N~2~-(2-methoxy-5-nitrophenyl)-3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide

E213-0386 Screening compound: N~2~-(2-methoxy-5-nitrophenyl)-3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
E213-0386 Screening compound: N~2~-(2-methoxy-5-nitrophenyl)-3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E213-0386
N~2~-(2-methoxy-5-nitrophenyl)-3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-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

E213-0386

Molecular Formula

C20H20N4O5S (C20 H20 N4 O5 S)

Compound Name

N~2~-(2-methoxy-5-nitrophenyl)-3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide

IUPAC name

N-(2-methoxy-5-nitrophenyl)-4-methyl-2-oxo-6-thia-18-diazatricyclo[7.5.0.0^{37}]tetradeca-3(7)48-triene-5-carboxamide

SMILES

Cc1c(C(Nc(cc(cc2)[N+]([O-])=O)c2OC)=O)sc(N=C2N3CCCCC2)c1C3=O

InChI

InChI=1S/C20H20N4O5S/c1-11-16-19(22-15-6-4-3-5-9-23(15)20(16)26)30-17(11)18(25)21-13-10-12(24(27)28)7-8-14(13)29-2/h7-8,10H,3-6,9H2,1-2H3,(H,21,25)

InChI Key

SRFXKDKUQWRNSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14847123

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.955

Distribution Coefficient, logD

1.572

Water Solubility, LogSw

-3.48

Polar Surface Area

90.027

Acid Dissociation Constant (pKa)

6.04

Base Dissociation Constant (pKb)

0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

E213-0386 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E213-0386 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E213-0386?
Check Price and Availability of E213-0386, 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 E213-0386 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E213-0386
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E213-0386
  • 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 E213-0386 available by request