8016-9072 Screening compound: N~5~-(3-fluoro-2-methylphenyl)-1-(methylsulfonyl)-5-indolinecarboxamide

8016-9072 Screening compound: N~5~-(3-fluoro-2-methylphenyl)-1-(methylsulfonyl)-5-indolinecarboxamide
8016-9072 Screening compound: N~5~-(3-fluoro-2-methylphenyl)-1-(methylsulfonyl)-5-indolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9072
N~5~-(3-fluoro-2-methylphenyl)-1-(methylsulfonyl)-5-indolinecarboxamide

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

8016-9072

Molecular Formula

C17H17FN2O3S (C17 H17 FN2 O3 S)

Compound Name

N~5~-(3-fluoro-2-methylphenyl)-1-(methylsulfonyl)-5-indolinecarboxamide

IUPAC name

N-(3-fluoro-2-methylphenyl)-1-methanesulfonyl-23-dihydro-1H-indole-5-carboxamide

SMILES

Cc(c(F)ccc1)c1NC(c(cc1)cc(CC2)c1N2S(C)(=O)=O)=O

InChI

InChI=1S/C17H17FN2O3S/c1-11-14(18)4-3-5-15(11)19-17(21)13-6-7-16-12(10-13)8-9-20(16)24(2,22)23/h3-7,10H,8-9H2,1-2H3,(H,19,21)

InChI Key

JOIVLUFLGJYOCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05860193

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.684

Distribution Coefficient, logD

2.639

Water Solubility, LogSw

-3.26

Polar Surface Area

53.914

Acid Dissociation Constant (pKa)

8.35

Base Dissociation Constant (pKb)

-1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.53

8016-9072 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with 8016-9072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9072?
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What is the minimum amount of 8016-9072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9072
  • 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 8016-9072 available by request