E524-1171 Screening compound: N~1~-(2,5-dimethoxyphenethyl)-3-[6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl]propanamide

E524-1171 Screening compound: N~1~-(2,5-dimethoxyphenethyl)-3-[6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl]propanamide
E524-1171 Screening compound: N~1~-(2,5-dimethoxyphenethyl)-3-[6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E524-1171
N~1~-(2,5-dimethoxyphenethyl)-3-[6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl]propanamide

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

E524-1171

Molecular Formula

C23H24N4O4 (C23 H24 N4 O4)

Compound Name

N~1~-(2,5-dimethoxyphenethyl)-3-[6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl]propanamide

IUPAC name

N-[2-(25-dimethoxyphenyl)ethyl]-3-{7-oxo-2810-triazatricyclo[7.4.0.0^{26}]trideca-1(13)35911-pentaen-8-yl}propanamide

SMILES

COc(cc1)cc(CCNC(CCN(C2=O)c3ncccc3-n3c2ccc3)=O)c1OC

InChI

InChI=1S/C23H24N4O4/c1-30-17-7-8-20(31-2)16(15-17)9-12-24-21(28)10-14-27-22-18(5-3-11-25-22)26-13-4-6-19(26)23(27)29/h3-8,11,13,15H,9-10,12,14H2,1-2H3,(H,24,28)

InChI Key

CRXGNSACHONAMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14894951

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.588

Distribution Coefficient, logD

2.588

Water Solubility, LogSw

-2.98

Polar Surface Area

66.762

Acid Dissociation Constant (pKa)

13.91

Base Dissociation Constant (pKb)

2.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

E524-1171 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antimitotic Tubulin Library (17355 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with E524-1171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E524-1171?
Check Price and Availability of E524-1171, 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 E524-1171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E524-1171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E524-1171
  • 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 E524-1171 available by request