5214-0127 Screening compound: 3-(2-thienyl)-3,4-dihydro-2H-benzo[f]chromeno[3,4-c]quinolin-2-one

5214-0127 Screening compound: 3-(2-thienyl)-3,4-dihydro-2H-benzo[f]chromeno[3,4-c]quinolin-2-one
5214-0127 Screening compound: 3-(2-thienyl)-3,4-dihydro-2H-benzo[f]chromeno[3,4-c]quinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5214-0127
3-(2-thienyl)-3,4-dihydro-2H-benzo[f]chromeno[3,4-c]quinolin-2-one

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

5214-0127

Molecular Formula

C24H15NO2S (C24 H15 NO2 S)

Compound Name

3-(2-thienyl)-3,4-dihydro-2H-benzo[f]chromeno[3,4-c]quinolin-2-one

IUPAC name

12-(thiophen-2-yl)-9-oxa-13-azapentacyclo[12.8.0.0^{211}.0^{38}.0^{1722}]docosa-1(14)2(11)3(8)461517(22)1820-nonaen-10-one

SMILES

O=C1Oc(cccc2)c2C2=C1C(c1cccs1)Nc1c2c2ccccc2cc1

InChI

InChI=1S/C24H15NO2S/c26-24-22-21(16-8-3-4-9-18(16)27-24)20-15-7-2-1-6-14(15)11-12-17(20)25-23(22)19-10-5-13-28-19/h1-13,23,25H/t23-/m0/s1

InChI Key

NCYKDCRNLRYKEG-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD03448644

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.163

Distribution Coefficient, logD

5.163

Water Solubility, LogSw

-6.38

Polar Surface Area

33.432

Acid Dissociation Constant (pKa)

16.62

Base Dissociation Constant (pKb)

-6.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

4.20

5214-0127 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5214-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5214-0127?
Check Price and Availability of 5214-0127, 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 5214-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5214-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5214-0127
  • 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 5214-0127 available by request