J005-0558 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)propan-1-one

J005-0558 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)propan-1-one
J005-0558 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)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J005-0558
1-(5-bromo-6-{[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]sulfonyl}-2,3-dihydro-1H-indol-1-yl)propan-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

J005-0558

Molecular Formula

C19H22BrN3O4S (C19 H22 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)propan-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)propan-1-one

SMILES

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

InChI

InChI=1S/C19H22BrN3O4S/c1-3-19(24)22-8-6-13-10-14(20)18(11-17(13)22)28(25,26)23-7-4-5-16(23)15-9-12(2)27-21-15/h9-11,16H,3-8H2,1-2H3/t16-/m0/s1

InChI Key

CFYCJVDXRBTRMN-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27215360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.257

Distribution Coefficient, logD

3.257

Water Solubility, LogSw

-3.53

Polar Surface Area

69.166

Acid Dissociation Constant (pKa)

22.26

Base Dissociation Constant (pKb)

-0.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.37

J005-0558 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
Targets:
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with J005-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J005-0558?
Check Price and Availability of J005-0558, 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 J005-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J005-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J005-0558
  • 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 J005-0558 available by request