J005-0086 Screening compound: 3-[1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)pyrrolidin-2-yl]-5-methyl-1,2-oxazole

J005-0086 Screening compound: 3-[1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)pyrrolidin-2-yl]-5-methyl-1,2-oxazole
J005-0086 Screening compound: 3-[1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)pyrrolidin-2-yl]-5-methyl-1,2-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound J005-0086
3-[1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)pyrrolidin-2-yl]-5-methyl-1,2-oxazole

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

J005-0086

Molecular Formula

C16H18N2O5S (C16 H18 N2 O5 S)

Compound Name

3-[1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)pyrrolidin-2-yl]-5-methyl-1,2-oxazole

IUPAC name

3-[1-(23-dihydro-14-benzodioxine-6-sulfonyl)pyrrolidin-2-yl]-5-methyl-12-oxazole

SMILES

Cc1cc(C(CCC2)N2S(c(cc2)cc3c2OCCO3)(=O)=O)no1

InChI

InChI=1S/C16H18N2O5S/c1-11-9-13(17-23-11)14-3-2-6-18(14)24(19,20)12-4-5-15-16(10-12)22-8-7-21-15/h4-5,9-10,14H,2-3,6-8H2,1H3/t14-/m0/s1

InChI Key

ZCUXOQDBKOULFI-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD10673057

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.582

Distribution Coefficient, logD

1.582

Water Solubility, LogSw

-2.38

Polar Surface Area

69.566

Acid Dissociation Constant (pKa)

26.76

Base Dissociation Constant (pKb)

-0.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.80

J005-0086 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J005-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J005-0086?
Check Price and Availability of J005-0086, 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 J005-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J005-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J005-0086
  • 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 J005-0086 available by request