J005-0536 Screening compound: 1-(5-bromo-6-{[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]sulfonyl}-2,3-dihydro-1H-indol-1-yl)ethan-1-one

J005-0536 Screening compound: 1-(5-bromo-6-{[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]sulfonyl}-2,3-dihydro-1H-indol-1-yl)ethan-1-one
J005-0536 Screening compound: 1-(5-bromo-6-{[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]sulfonyl}-2,3-dihydro-1H-indol-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J005-0536
1-(5-bromo-6-{[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]sulfonyl}-2,3-dihydro-1H-indol-1-yl)ethan-1-one

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

J005-0536

Molecular Formula

C18H20BrN3O4S (C18 H20 BrN3 O4 S)

Compound Name

1-(5-bromo-6-{[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]sulfonyl}-2,3-dihydro-1H-indol-1-yl)ethan-1-one

IUPAC name

1-(5-bromo-6-{[2-(5-methyl-12-oxazol-3-yl)pyrrolidin-1-yl]sulfonyl}-23-dihydro-1H-indol-1-yl)ethan-1-one

SMILES

CC(N(CCc1c2)c1cc(S(N(CCC1)C1c1noc(C)c1)(=O)=O)c2Br)=O

InChI

InChI=1S/C18H20BrN3O4S/c1-11-8-15(20-26-11)16-4-3-6-22(16)27(24,25)18-10-17-13(9-14(18)19)5-7-21(17)12(2)23/h8-10,16H,3-7H2,1-2H3/t16-/m0/s1

InChI Key

PQVBHTSEKYVEDG-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27215352

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.34

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.623

Distribution Coefficient, logD

2.623

Water Solubility, LogSw

-2.87

Polar Surface Area

70.161

Acid Dissociation Constant (pKa)

22.79

Base Dissociation Constant (pKb)

-0.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.44

J005-0536 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

GPCR Targeted Library (31838 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Targeted Diversity Library (40567 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
Agro:
  • Agro
  • Agro
Targets:
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands
  • Epigenetic
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with J005-0536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J005-0536?
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What is the minimum amount of J005-0536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J005-0536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J005-0536
  • 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 J005-0536 available by request