5052-0127 Screening compound: 3-chloro-5-methoxy-4-[(4-methoxyphenyl)amino]-2,5-dihydrofuran-2-one

5052-0127 Screening compound: 3-chloro-5-methoxy-4-[(4-methoxyphenyl)amino]-2,5-dihydrofuran-2-one
5052-0127 Screening compound: 3-chloro-5-methoxy-4-[(4-methoxyphenyl)amino]-2,5-dihydrofuran-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5052-0127
3-chloro-5-methoxy-4-[(4-methoxyphenyl)amino]-2,5-dihydrofuran-2-one

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

5052-0127

Molecular Formula

C12H12ClNO4 (C12 H12 ClNO4)

Compound Name

3-chloro-5-methoxy-4-[(4-methoxyphenyl)amino]-2,5-dihydrofuran-2-one

IUPAC name

3-chloro-5-methoxy-4-[(4-methoxyphenyl)amino]-25-dihydrofuran-2-one

SMILES

COC(C(Nc(cc1)ccc1OC)=C1Cl)OC1=O

InChI

InChI=1S/C12H12ClNO4/c1-16-8-5-3-7(4-6-8)14-10-9(13)11(15)18-12(10)17-2/h3-6,12,14H,1-2H3/t12-/m1/s1

InChI Key

QPPHRQHADKWQPG-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD03827160

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.68

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.268

Distribution Coefficient, logD

2.170

Water Solubility, LogSw

-3.06

Polar Surface Area

47.346

Acid Dissociation Constant (pKa)

8.00

Base Dissociation Constant (pKb)

2.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

5052-0127 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5052-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5052-0127?
Check Price and Availability of 5052-0127, 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 5052-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5052-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5052-0127
  • 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 5052-0127 available by request