3130-1061 Screening compound: N-[2,6-bis(propan-2-yl)phenyl]-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamide

3130-1061 Screening compound: N-[2,6-bis(propan-2-yl)phenyl]-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamide
3130-1061 Screening compound: N-[2,6-bis(propan-2-yl)phenyl]-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3130-1061
N-[2,6-bis(propan-2-yl)phenyl]-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]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

3130-1061

Molecular Formula

C24H27NO4 (C24 H27 NO4)

Compound Name

N-[2,6-bis(propan-2-yl)phenyl]-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamide

IUPAC name

N-[26-bis(propan-2-yl)phenyl]-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamide

SMILES

CC(C)c1cccc(C(C)C)c1NC(COc(cc1)cc(O2)c1C(C)=CC2=O)=O

InChI

InChI=1S/C24H27NO4/c1-14(2)18-7-6-8-19(15(3)4)24(18)25-22(26)13-28-17-9-10-20-16(5)11-23(27)29-21(20)12-17/h6-12,14-15H,13H2,1-5H3,(H,25,26)

InChI Key

BKIZWCYCNIAWKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02165922

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.640

Distribution Coefficient, logD

3.640

Water Solubility, LogSw

-3.88

Polar Surface Area

49.627

Acid Dissociation Constant (pKa)

13.98

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

3130-1061 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 3130-1061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3130-1061?
Check Price and Availability of 3130-1061, 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 3130-1061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3130-1061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3130-1061
  • 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 3130-1061 available by request