6414-0336 Screening compound: 5-[1-(4-methylbenzenesulfonyl)propyl]-8-nitroquinoline

6414-0336 Screening compound: 5-[1-(4-methylbenzenesulfonyl)propyl]-8-nitroquinoline
6414-0336 Screening compound: 5-[1-(4-methylbenzenesulfonyl)propyl]-8-nitroquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 6414-0336
5-[1-(4-methylbenzenesulfonyl)propyl]-8-nitroquinoline

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

6414-0336

Molecular Formula

C19H18N2O4S (C19 H18 N2 O4 S)

Compound Name

5-[1-(4-methylbenzenesulfonyl)propyl]-8-nitroquinoline

IUPAC name

5-[1-(4-methylbenzenesulfonyl)propyl]-8-nitroquinoline

SMILES

CCC(c(c1cccnc11)ccc1[N+]([O-])=O)S(c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C19H18N2O4S/c1-3-18(26(24,25)14-8-6-13(2)7-9-14)15-10-11-17(21(22)23)19-16(15)5-4-12-20-19/h4-12,18H,3H2,1-2H3/t18-/m0/s1

InChI Key

OBTCNMCGZYFGOL-SFHVURJKSA-N

MDL Number (MFCD)

MFCD03206468

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.276

Distribution Coefficient, logD

4.276

Water Solubility, LogSw

-4.33

Polar Surface Area

72.353

Acid Dissociation Constant (pKa)

16.07

Base Dissociation Constant (pKb)

0.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

6414-0336 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 6414-0336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6414-0336?
Check Price and Availability of 6414-0336, 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 6414-0336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6414-0336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6414-0336
  • 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 6414-0336 available by request