5924-0008 Screening compound: N-(4-ethylphenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide

5924-0008 Screening compound: N-(4-ethylphenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide
5924-0008 Screening compound: N-(4-ethylphenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5924-0008
N-(4-ethylphenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide

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

5924-0008

Molecular Formula

C18H17NO3 (C18 H17 NO3)

Compound Name

N-(4-ethylphenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide

IUPAC name

N-(4-ethylphenyl)-1-oxo-34-dihydro-1H-2-benzopyran-3-carboxamide

SMILES

CCc(cc1)ccc1NC(C(Cc1c2cccc1)OC2=O)=O

InChI

InChI=1S/C18H17NO3/c1-2-12-7-9-14(10-8-12)19-17(20)16-11-13-5-3-4-6-15(13)18(21)22-16/h3-10,16H,2,11H2,1H3,(H,19,20)/t16-/m0/s1

InChI Key

GWFLKGAUVKTYDQ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD03828262

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.718

Distribution Coefficient, logD

3.718

Water Solubility, LogSw

-3.99

Polar Surface Area

44.154

Acid Dissociation Constant (pKa)

12.00

Base Dissociation Constant (pKb)

-0.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

5924-0008 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5924-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5924-0008?
Check Price and Availability of 5924-0008, 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 5924-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5924-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5924-0008
  • 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 5924-0008 available by request