8016-2713 Screening compound: 4-cyclohexyl-N~1~-[1-(methylsulfonyl)-2,3-dihydro-1H-indol-5-yl]-1-benzenesulfonamide

8016-2713 Screening compound: 4-cyclohexyl-N~1~-[1-(methylsulfonyl)-2,3-dihydro-1H-indol-5-yl]-1-benzenesulfonamide
8016-2713 Screening compound: 4-cyclohexyl-N~1~-[1-(methylsulfonyl)-2,3-dihydro-1H-indol-5-yl]-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-2713
4-cyclohexyl-N~1~-[1-(methylsulfonyl)-2,3-dihydro-1H-indol-5-yl]-1-benzenesulfonamide

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

8016-2713

Molecular Formula

C21H26N2O4S2 (C21 H26 N2 O4 S2)

Compound Name

4-cyclohexyl-N~1~-[1-(methylsulfonyl)-2,3-dihydro-1H-indol-5-yl]-1-benzenesulfonamide

IUPAC name

4-cyclohexyl-N-(1-methanesulfonyl-23-dihydro-1H-indol-5-yl)benzene-1-sulfonamide

SMILES

CS(N(CC1)c(cc2)c1cc2NS(c1ccc(C2CCCCC2)cc1)(=O)=O)(=O)=O

InChI

InChI=1S/C21H26N2O4S2/c1-28(24,25)23-14-13-18-15-19(9-12-21(18)23)22-29(26,27)20-10-7-17(8-11-20)16-5-3-2-4-6-16/h7-12,15-16,22H,2-6,13-14H2,1H3

InChI Key

VUGCWPLSJRIVEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05855123

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.422

Distribution Coefficient, logD

4.383

Water Solubility, LogSw

-4.20

Polar Surface Area

72.091

Acid Dissociation Constant (pKa)

8.43

Base Dissociation Constant (pKb)

-5.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.86

8016-2713 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 8016-2713 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-2713?
Check Price and Availability of 8016-2713, 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 8016-2713 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-2713
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-2713
  • 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 8016-2713 available by request