E533-1911 Screening compound: ethyl 2-{[2-(3,4-dimethoxyphenyl)-6-(furan-2-yl)-3-methyl-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-3-yl]formamido}acetate

E533-1911 Screening compound: ethyl 2-{[2-(3,4-dimethoxyphenyl)-6-(furan-2-yl)-3-methyl-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-3-yl]formamido}acetate
E533-1911 Screening compound: ethyl 2-{[2-(3,4-dimethoxyphenyl)-6-(furan-2-yl)-3-methyl-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-3-yl]formamido}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound E533-1911
ethyl 2-{[2-(3,4-dimethoxyphenyl)-6-(furan-2-yl)-3-methyl-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-3-yl]formamido}acetate

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

E533-1911

Molecular Formula

C25H27N3O7 (C25 H27 N3 O7)

Compound Name

ethyl 2-{[2-(3,4-dimethoxyphenyl)-6-(furan-2-yl)-3-methyl-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-3-yl]formamido}acetate

IUPAC name

ethyl 2-{[2-(34-dimethoxyphenyl)-6-(furan-2-yl)-3-methyl-1-oxo-1H2H3H4H-pyrrolo[12-a]pyrazin-3-yl]formamido}acetate

SMILES

CCOC(CNC(C(C)(Cn1c2ccc1-c1ccco1)N(c(cc1)cc(OC)c1OC)C2=O)=O)=O

InChI

InChI=1S/C25H27N3O7/c1-5-34-22(29)14-26-24(31)25(2)15-27-17(19-7-6-12-35-19)9-10-18(27)23(30)28(25)16-8-11-20(32-3)21(13-16)33-4/h6-13H,5,14-15H2,1-4H3,(H,26,31)/t25-/m0/s1

InChI Key

FDAADXXTGLBIKV-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14896222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.723

Distribution Coefficient, logD

2.723

Water Solubility, LogSw

-3.06

Polar Surface Area

84.149

Acid Dissociation Constant (pKa)

12.95

Base Dissociation Constant (pKb)

-2.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

E533-1911 in Drug Discovery

Included in Screening Libraries

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

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with E533-1911 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E533-1911?
Check Price and Availability of E533-1911, 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 E533-1911 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E533-1911
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E533-1911
  • 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 E533-1911 available by request