Y031-8667 Screening compound: 3,4-dihydro-1(2H)-quinolinyl(3,5-dinitrophenyl)methanone

Y031-8667 Screening compound: 3,4-dihydro-1(2H)-quinolinyl(3,5-dinitrophenyl)methanone
Y031-8667 Screening compound: 3,4-dihydro-1(2H)-quinolinyl(3,5-dinitrophenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-8667
3,4-dihydro-1(2H)-quinolinyl(3,5-dinitrophenyl)methanone

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

Y031-8667

Molecular Formula

C16H13N3O5 (C16 H13 N3 O5)

Compound Name

3,4-dihydro-1(2H)-quinolinyl(3,5-dinitrophenyl)methanone

IUPAC name

1-(35-dinitrobenzoyl)-1234-tetrahydroquinoline

SMILES

[O-][N+](c1cc(C(N(CCC2)c3c2cccc3)=O)cc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C16H13N3O5/c20-16(17-7-3-5-11-4-1-2-6-15(11)17)12-8-13(18(21)22)10-14(9-12)19(23)24/h1-2,4,6,8-10H,3,5,7H2

InChI Key

APYYJNJLXKLMNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00791289

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.3

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.408

Distribution Coefficient, logD

3.408

Water Solubility, LogSw

-3.71

Polar Surface Area

82.314

Acid Dissociation Constant (pKa)

26.00

Base Dissociation Constant (pKb)

-4.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.75

Y031-8667 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y031-8667 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-8667?
Check Price and Availability of Y031-8667, 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 Y031-8667 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-8667
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-8667
  • 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 Y031-8667 available by request