E524-1616 Screening compound: ethyl 4-[(4-{[6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl]methyl}benzoyl)amino]benzoate

E524-1616 Screening compound: ethyl 4-[(4-{[6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl]methyl}benzoyl)amino]benzoate
E524-1616 Screening compound: ethyl 4-[(4-{[6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl]methyl}benzoyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E524-1616
ethyl 4-[(4-{[6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl]methyl}benzoyl)amino]benzoate

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

E524-1616

Molecular Formula

C27H22N4O4 (C27 H22 N4 O4)

Compound Name

ethyl 4-[(4-{[6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl]methyl}benzoyl)amino]benzoate

IUPAC name

ethyl 4-[4-({7-oxo-2810-triazatricyclo[7.4.0.0^{26}]trideca-1(13)35911-pentaen-8-yl}methyl)benzamido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(c1ccc(CN(C2=O)c3ncccc3-n3c2ccc3)cc1)=O)=O

InChI

InChI=1S/C27H22N4O4/c1-2-35-27(34)20-11-13-21(14-12-20)29-25(32)19-9-7-18(8-10-19)17-31-24-22(5-3-15-28-24)30-16-4-6-23(30)26(31)33/h3-16H,2,17H2,1H3,(H,29,32)

InChI Key

HWSJEZYPRJOHAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27599757

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.754

Distribution Coefficient, logD

4.749

Water Solubility, LogSw

-4.30

Polar Surface Area

71.141

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

E524-1616 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E524-1616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E524-1616?
Check Price and Availability of E524-1616, 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 E524-1616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E524-1616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E524-1616
  • 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 E524-1616 available by request