0672-0366 Screening compound: 2-[(2-oxo-2H-chromen-3-yl)formamido]ethyl pentanoate

0672-0366 Screening compound: 2-[(2-oxo-2H-chromen-3-yl)formamido]ethyl pentanoate
0672-0366 Screening compound: 2-[(2-oxo-2H-chromen-3-yl)formamido]ethyl pentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0672-0366
2-[(2-oxo-2H-chromen-3-yl)formamido]ethyl pentanoate

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

0672-0366

Molecular Formula

C17H19NO5 (C17 H19 NO5)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C17H19NO5/c1-2-3-8-15(19)22-10-9-18-16(20)13-11-12-6-4-5-7-14(12)23-17(13)21/h4-7,11H,2-3,8-10H2,1H3,(H,18,20)

InChI Key

JXOQNUGSJYBIQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00396886

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.298

Distribution Coefficient, logD

2.298

Water Solubility, LogSw

-2.81

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

35.30

0672-0366 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0672-0366 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0672-0366?
Check Price and Availability of 0672-0366, 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 0672-0366 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0672-0366
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0672-0366
  • 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 0672-0366 available by request