Y508-8342 Screening compound: 2-amino-4-(1,3-benzodioxol-5-yl)-1-(2-chloro-4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

Y508-8342 Screening compound: 2-amino-4-(1,3-benzodioxol-5-yl)-1-(2-chloro-4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Y508-8342 Screening compound: 2-amino-4-(1,3-benzodioxol-5-yl)-1-(2-chloro-4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound Y508-8342
2-amino-4-(1,3-benzodioxol-5-yl)-1-(2-chloro-4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

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

Y508-8342

Molecular Formula

C23H17ClN4O5 (C23 H17 ClN4 O5)

Compound Name

2-amino-4-(1,3-benzodioxol-5-yl)-1-(2-chloro-4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

IUPAC name

n/a

SMILES

NC(N(C(CCC1)=C(C2c(cc3)cc4c3OCO4)C1=O)c(ccc([N+]([O-])=O)c1)c1Cl)=C2C#N

InChI

InChI=1S/C23H17ClN4O5/c24-15-9-13(28(30)31)5-6-16(15)27-17-2-1-3-18(29)22(17)21(14(10-25)23(27)26)12-4-7-19-20(8-12)33-11-32-19/h4-9,21H,1-3,11,26H2/t21-/m0/s1

InChI Key

GIYBMZBKUZNBOU-NRFANRHFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.86

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.552

Distribution Coefficient, logD

3.552

Water Solubility, LogSw

-4.19

Polar Surface Area

102.573

Acid Dissociation Constant (pKa)

15.04

Base Dissociation Constant (pKb)

-3.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with Y508-8342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y508-8342?
Check Price and Availability of Y508-8342, 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 Y508-8342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y508-8342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y508-8342
  • 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 Y508-8342 available by request