6228-2116 Screening compound: 4-[(2,3-dihydro-1H-inden-5-yloxy)methyl]-N-[4-(pyrrolidine-1-sulfonyl)phenyl]benzamide

6228-2116 Screening compound: 4-[(2,3-dihydro-1H-inden-5-yloxy)methyl]-N-[4-(pyrrolidine-1-sulfonyl)phenyl]benzamide
6228-2116 Screening compound: 4-[(2,3-dihydro-1H-inden-5-yloxy)methyl]-N-[4-(pyrrolidine-1-sulfonyl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6228-2116
4-[(2,3-dihydro-1H-inden-5-yloxy)methyl]-N-[4-(pyrrolidine-1-sulfonyl)phenyl]benzamide

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

6228-2116

Molecular Formula

C27H28N2O4S (C27 H28 N2 O4 S)

Compound Name

4-[(2,3-dihydro-1H-inden-5-yloxy)methyl]-N-[4-(pyrrolidine-1-sulfonyl)phenyl]benzamide

IUPAC name

4-[(23-dihydro-1H-inden-5-yloxy)methyl]-N-[4-(pyrrolidine-1-sulfonyl)phenyl]benzamide

SMILES

O=C(c1ccc(COc2cc(CCC3)c3cc2)cc1)Nc(cc1)ccc1S(N1CCCC1)(=O)=O

InChI

InChI=1S/C27H28N2O4S/c30-27(28-24-11-14-26(15-12-24)34(31,32)29-16-1-2-17-29)22-8-6-20(7-9-22)19-33-25-13-10-21-4-3-5-23(21)18-25/h6-15,18H,1-5,16-17,19H2,(H,28,30)

InChI Key

IGHUFMLUTRSZJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02372103

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.064

Distribution Coefficient, logD

5.041

Water Solubility, LogSw

-5.13

Polar Surface Area

62.921

Acid Dissociation Constant (pKa)

8.67

Base Dissociation Constant (pKb)

-3.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

6228-2116 in Drug Discovery

Included in Screening Libraries

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 6228-2116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6228-2116?
Check Price and Availability of 6228-2116, 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 6228-2116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6228-2116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6228-2116
  • 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 6228-2116 available by request