E144-0697 Screening compound: 3-{[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}-N-(2-ethoxyphenyl)propanamide

E144-0697 Screening compound: 3-{[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}-N-(2-ethoxyphenyl)propanamide
E144-0697 Screening compound: 3-{[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}-N-(2-ethoxyphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E144-0697
3-{[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}-N-(2-ethoxyphenyl)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

E144-0697

Molecular Formula

C19H23N3O4 (C19 H23 N3 O4)

Compound Name

3-{[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}-N-(2-ethoxyphenyl)propanamide

IUPAC name

3-{[34-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}-N-(2-ethoxyphenyl)propanamide

SMILES

CCOc(cccc1)c1NC(CCNC(C(C1=O)=O)=C1N1CCCC1)=O

InChI

InChI=1S/C19H23N3O4/c1-2-26-14-8-4-3-7-13(14)21-15(23)9-10-20-16-17(19(25)18(16)24)22-11-5-6-12-22/h3-4,7-8,20H,2,5-6,9-12H2,1H3,(H,21,23)

InChI Key

JFBNBQKRWUXWDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14842345

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.715

Distribution Coefficient, logD

1.715

Water Solubility, LogSw

-2.23

Polar Surface Area

70.728

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

E144-0697 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with E144-0697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E144-0697?
Check Price and Availability of E144-0697, 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 E144-0697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E144-0697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E144-0697
  • 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 E144-0697 available by request