1069-0040 Screening compound: N-[4-(butylamino)-2-oxo-2H-chromen-3-yl]acetamide

1069-0040 Screening compound: N-[4-(butylamino)-2-oxo-2H-chromen-3-yl]acetamide
1069-0040 Screening compound: N-[4-(butylamino)-2-oxo-2H-chromen-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1069-0040
N-[4-(butylamino)-2-oxo-2H-chromen-3-yl]acetamide

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

1069-0040

Molecular Formula

C15H18N2O3 (C15 H18 N2 O3)

Compound Name

N-[4-(butylamino)-2-oxo-2H-chromen-3-yl]acetamide

IUPAC name

N-[4-(butylamino)-2-oxo-2H-chromen-3-yl]acetamide

SMILES

CCCCNC(c(cccc1)c1OC1=O)=C1NC(C)=O

InChI

InChI=1S/C15H18N2O3/c1-3-4-9-16-13-11-7-5-6-8-12(11)20-15(19)14(13)17-10(2)18/h5-8,16H,3-4,9H2,1-2H3,(H,17,18)

InChI Key

OKXFXLKJJJCSHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01605616

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

274.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.667

Distribution Coefficient, logD

1.604

Water Solubility, LogSw

-2.61

Polar Surface Area

55.168

Acid Dissociation Constant (pKa)

8.25

Base Dissociation Constant (pKb)

-2.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

1069-0040 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

Dark Chemical Matter Library (18430 compounds)

Frequent Hitters Library (7624 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Others
  • GPCR
Structure:
  • Pool
  • Pool
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 1069-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1069-0040?
Check Price and Availability of 1069-0040, 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 1069-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1069-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1069-0040
  • 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 1069-0040 available by request