8016-9237 Screening compound: 1-methanesulfonyl-N-{4-[(pyridin-4-yl)methyl]phenyl}-2,3-dihydro-1H-indole-5-carboxamide

8016-9237 Screening compound: 1-methanesulfonyl-N-{4-[(pyridin-4-yl)methyl]phenyl}-2,3-dihydro-1H-indole-5-carboxamide
8016-9237 Screening compound: 1-methanesulfonyl-N-{4-[(pyridin-4-yl)methyl]phenyl}-2,3-dihydro-1H-indole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9237
1-methanesulfonyl-N-{4-[(pyridin-4-yl)methyl]phenyl}-2,3-dihydro-1H-indole-5-carboxamide

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

8016-9237

Molecular Formula

C22H21N3O3S (C22 H21 N3 O3 S)

Compound Name

1-methanesulfonyl-N-{4-[(pyridin-4-yl)methyl]phenyl}-2,3-dihydro-1H-indole-5-carboxamide

IUPAC name

1-methanesulfonyl-N-{4-[(pyridin-4-yl)methyl]phenyl}-23-dihydro-1H-indole-5-carboxamide

SMILES

CS(N(CC1)c(cc2)c1cc2C(Nc1ccc(Cc2ccncc2)cc1)=O)(=O)=O

InChI

InChI=1S/C22H21N3O3S/c1-29(27,28)25-13-10-18-15-19(4-7-21(18)25)22(26)24-20-5-2-16(3-6-20)14-17-8-11-23-12-9-17/h2-9,11-12,15H,10,13-14H2,1H3,(H,24,26)

InChI Key

RHQACDLCLSEXRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05860319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.641

Distribution Coefficient, logD

2.640

Water Solubility, LogSw

-3.15

Polar Surface Area

63.769

Acid Dissociation Constant (pKa)

10.61

Base Dissociation Constant (pKb)

3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

8016-9237 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 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
  • Musculoskeletal
  • Male
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8016-9237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9237?
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What is the minimum amount of 8016-9237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9237
  • 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 8016-9237 available by request