E144-0537 Screening compound: N-(3,4-dimethoxyphenyl)-3-{[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}propanamide

E144-0537 Screening compound: N-(3,4-dimethoxyphenyl)-3-{[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}propanamide
E144-0537 Screening compound: N-(3,4-dimethoxyphenyl)-3-{[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E144-0537
N-(3,4-dimethoxyphenyl)-3-{[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}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

E144-0537

Molecular Formula

C19H23N3O5 (C19 H23 N3 O5)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(NC(CCNC(C(C1=O)=O)=C1N1CCCC1)=O)c1)c1OC

InChI

InChI=1S/C19H23N3O5/c1-26-13-6-5-12(11-14(13)27-2)21-15(23)7-8-20-16-17(19(25)18(16)24)22-9-3-4-10-22/h5-6,11,20H,3-4,7-10H2,1-2H3,(H,21,23)

InChI Key

JESCBEQAODVNKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14842294

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.075

Distribution Coefficient, logD

1.075

Water Solubility, LogSw

-2.22

Polar Surface Area

79.476

Acid Dissociation Constant (pKa)

11.15

Base Dissociation Constant (pKb)

0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

E144-0537 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 E144-0537 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E144-0537?
Check Price and Availability of E144-0537, 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 E144-0537 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E144-0537
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E144-0537
  • 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 E144-0537 available by request