1442-0030 Screening compound: 2-[(2-oxo-2H-chromen-3-yl)formamido]ethyl butanoate

1442-0030 Screening compound: 2-[(2-oxo-2H-chromen-3-yl)formamido]ethyl butanoate
1442-0030 Screening compound: 2-[(2-oxo-2H-chromen-3-yl)formamido]ethyl butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1442-0030
2-[(2-oxo-2H-chromen-3-yl)formamido]ethyl butanoate

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

1442-0030

Molecular Formula

C16H17NO5 (C16 H17 NO5)

Compound Name

2-[(2-oxo-2H-chromen-3-yl)formamido]ethyl butanoate

IUPAC name

2-[(2-oxo-2H-chromen-3-yl)formamido]ethyl butanoate

SMILES

CCCC(OCCNC(C1=Cc(cccc2)c2OC1=O)=O)=O

InChI

InChI=1S/C16H17NO5/c1-2-5-14(18)21-9-8-17-15(19)12-10-11-6-3-4-7-13(11)22-16(12)20/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,17,19)

InChI Key

VSZDAQXXVZXYGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00406399

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.931

Distribution Coefficient, logD

1.931

Water Solubility, LogSw

-2.31

Polar Surface Area

66.139

Acid Dissociation Constant (pKa)

12.50

Base Dissociation Constant (pKb)

-1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

1442-0030 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Structure:
  • Pool
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 1442-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1442-0030?
Check Price and Availability of 1442-0030, 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 1442-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1442-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1442-0030
  • 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 1442-0030 available by request