3342-3007 Screening compound: (3Z)-3-[(4-ethylpiperazin-1-yl)methylidene]-3,4-dihydro-2H-1-benzopyran-2,4-dione

3342-3007 Screening compound: (3Z)-3-[(4-ethylpiperazin-1-yl)methylidene]-3,4-dihydro-2H-1-benzopyran-2,4-dione
3342-3007 Screening compound: (3Z)-3-[(4-ethylpiperazin-1-yl)methylidene]-3,4-dihydro-2H-1-benzopyran-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3342-3007
(3Z)-3-[(4-ethylpiperazin-1-yl)methylidene]-3,4-dihydro-2H-1-benzopyran-2,4-dione

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

3342-3007

Molecular Formula

C16H18N2O3 (C16 H18 N2 O3)

Compound Name

(3Z)-3-[(4-ethylpiperazin-1-yl)methylidene]-3,4-dihydro-2H-1-benzopyran-2,4-dione

IUPAC name

(3Z)-3-[(4-ethylpiperazin-1-yl)methylidene]-34-dihydro-2H-1-benzopyran-24-dione

SMILES

CCN(CC1)CCN1/C=C(/C(c(cccc1)c1O1)=O)\C1=O

InChI

InChI=1S/C16H18N2O3/c1-2-17-7-9-18(10-8-17)11-13-15(19)12-5-3-4-6-14(12)21-16(13)20/h3-6,11H,2,7-10H2,1H3

InChI Key

FKSKYRKQMUOVRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02328372

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.799

Distribution Coefficient, logD

0.603

Water Solubility, LogSw

-2.31

Polar Surface Area

42.186

Acid Dissociation Constant (pKa)

30.35

Base Dissociation Constant (pKb)

7.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

3342-3007 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3342-3007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3342-3007?
Check Price and Availability of 3342-3007, 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 3342-3007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3342-3007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3342-3007
  • 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 3342-3007 available by request