8015-4216 Screening compound: (3aS,4R,9bR)-N~8~-(2-fluorophenyl)-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide

8015-4216 Screening compound: (3aS,4R,9bR)-N~8~-(2-fluorophenyl)-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
8015-4216 Screening compound: (3aS,4R,9bR)-N~8~-(2-fluorophenyl)-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-4216
(3aS,4R,9bR)-N~8~-(2-fluorophenyl)-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-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

8015-4216

Molecular Formula

C24H20F2N2O2S (C24 H20 F2 N2 O2 S)

Compound Name

(3aS,4R,9bR)-N~8~-(2-fluorophenyl)-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide

IUPAC name

(3aS4R9bR)-N-(2-fluorophenyl)-4-(4-fluorophenyl)-3H3aH4H5H9bH-cyclopenta[c]quinoline-8-sulfonamide

SMILES

O=S(c(cc1)cc([C@H]2C=CC[C@H]22)c1N[C@@H]2c(cc1)ccc1F)(Nc(cccc1)c1F)=O

InChI

InChI=1S/C24H20F2N2O2S/c25-16-10-8-15(9-11-16)24-19-5-3-4-18(19)20-14-17(12-13-22(20)27-24)31(29,30)28-23-7-2-1-6-21(23)26/h1-4,6-14,18-19,24,27-28H,5H2/t18-,19-,24-/m0/s1

InChI Key

HEQWCUKWRYJVJE-JXQFQVJHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.5

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

5.532

Distribution Coefficient, logD

5.385

Water Solubility, LogSw

-5.90

Polar Surface Area

52.273

Acid Dissociation Constant (pKa)

7.79

Base Dissociation Constant (pKb)

-3.38

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

16.67

8015-4216 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8015-4216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-4216?
Check Price and Availability of 8015-4216, 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 8015-4216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-4216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-4216
  • 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 8015-4216 available by request