E524-1069 Screening compound: 3-[6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl]-N~1~-(2-thienylmethyl)propanamide

E524-1069 Screening compound: 3-[6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl]-N~1~-(2-thienylmethyl)propanamide
E524-1069 Screening compound: 3-[6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl]-N~1~-(2-thienylmethyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E524-1069
3-[6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl]-N~1~-(2-thienylmethyl)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

E524-1069

Molecular Formula

C18H16N4O2S (C18 H16 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCN(C1=O)c2ncccc2-n2c1ccc2)NCc1cccs1

InChI

InChI=1S/C18H16N4O2S/c23-16(20-12-13-4-3-11-25-13)7-10-22-17-14(5-1-8-19-17)21-9-2-6-15(21)18(22)24/h1-6,8-9,11H,7,10,12H2,(H,20,23)

InChI Key

LWKWKIGMMBDPHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14894903

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.439

Distribution Coefficient, logD

2.439

Water Solubility, LogSw

-2.64

Polar Surface Area

52.765

Acid Dissociation Constant (pKa)

13.34

Base Dissociation Constant (pKb)

2.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

E524-1069 in Drug Discovery

Included in Screening Libraries

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

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with E524-1069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E524-1069?
Check Price and Availability of E524-1069, 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 E524-1069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E524-1069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E524-1069
  • 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 E524-1069 available by request