5408-1080 Screening compound: N-(2,5-dimethylphenyl)-4-(3-methylphenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-8-sulfonamide

5408-1080 Screening compound: N-(2,5-dimethylphenyl)-4-(3-methylphenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-8-sulfonamide
5408-1080 Screening compound: N-(2,5-dimethylphenyl)-4-(3-methylphenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-8-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5408-1080
N-(2,5-dimethylphenyl)-4-(3-methylphenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-8-sulfonamide

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

5408-1080

Molecular Formula

C27H28N2O2S (C27 H28 N2 O2 S)

Compound Name

N-(2,5-dimethylphenyl)-4-(3-methylphenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-8-sulfonamide

IUPAC name

(3aR4S9bS)-N-(25-dimethylphenyl)-4-(3-methylphenyl)-3H3aH4H5H9bH-cyclopenta[c]quinoline-8-sulfonamide

SMILES

Cc1cccc([C@H]([C@H]2[C@@H]3C=CC2)Nc(cc2)c3cc2S(Nc2c(C)ccc(C)c2)(=O)=O)c1

InChI

InChI=1S/C27H28N2O2S/c1-17-6-4-7-20(14-17)27-23-9-5-8-22(23)24-16-21(12-13-25(24)28-27)32(30,31)29-26-15-18(2)10-11-19(26)3/h4-8,10-16,22-23,27-29H,9H2,1-3H3/t22-,23-,27-/m0/s1

InChI Key

YVIFCSCQCFPNQE-WCYRKSIYSA-N

MDL Number (MFCD)

MFCD01965095

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.359

Distribution Coefficient, logD

6.356

Water Solubility, LogSw

-5.65

Polar Surface Area

52.273

Acid Dissociation Constant (pKa)

9.62

Base Dissociation Constant (pKb)

-2.67

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

25.90

5408-1080 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5408-1080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5408-1080?
Check Price and Availability of 5408-1080, 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 5408-1080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5408-1080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5408-1080
  • 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 5408-1080 available by request