D429-0217 Screening compound: 3-phenyl-6-(1,2,3,4-tetrahydroquinoline-1-carbonyl)-3,4-dihydro-1H-2-benzopyran-1-one

D429-0217 Screening compound: 3-phenyl-6-(1,2,3,4-tetrahydroquinoline-1-carbonyl)-3,4-dihydro-1H-2-benzopyran-1-one
D429-0217 Screening compound: 3-phenyl-6-(1,2,3,4-tetrahydroquinoline-1-carbonyl)-3,4-dihydro-1H-2-benzopyran-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D429-0217
3-phenyl-6-(1,2,3,4-tetrahydroquinoline-1-carbonyl)-3,4-dihydro-1H-2-benzopyran-1-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

D429-0217

Molecular Formula

C25H21NO3 (C25 H21 NO3)

Compound Name

3-phenyl-6-(1,2,3,4-tetrahydroquinoline-1-carbonyl)-3,4-dihydro-1H-2-benzopyran-1-one

IUPAC name

3-phenyl-6-(1234-tetrahydroquinoline-1-carbonyl)-34-dihydro-1H-2-benzopyran-1-one

SMILES

O=C(c(cc1)cc(CC(c2ccccc2)O2)c1C2=O)N(CCC1)c2c1cccc2

InChI

InChI=1S/C25H21NO3/c27-24(26-14-6-10-17-7-4-5-11-22(17)26)19-12-13-21-20(15-19)16-23(29-25(21)28)18-8-2-1-3-9-18/h1-5,7-9,11-13,15,23H,6,10,14,16H2/t23-/m0/s1

InChI Key

OUPKQDRFIYUYHK-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD07353605

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.980

Distribution Coefficient, logD

4.980

Water Solubility, LogSw

-4.86

Polar Surface Area

36.104

Acid Dissociation Constant (pKa)

24.04

Base Dissociation Constant (pKb)

-2.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

D429-0217 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D429-0217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D429-0217?
Check Price and Availability of D429-0217, 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 D429-0217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D429-0217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D429-0217
  • 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 D429-0217 available by request