J005-0631 Screening compound: 3,5-dimethyl-4-[1-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)pyrrolidin-2-yl]-1,2-oxazole

J005-0631 Screening compound: 3,5-dimethyl-4-[1-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)pyrrolidin-2-yl]-1,2-oxazole
J005-0631 Screening compound: 3,5-dimethyl-4-[1-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)pyrrolidin-2-yl]-1,2-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound J005-0631
3,5-dimethyl-4-[1-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)pyrrolidin-2-yl]-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

J005-0631

Molecular Formula

C19H24N2O3S (C19 H24 N2 O3 S)

Compound Name

3,5-dimethyl-4-[1-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)pyrrolidin-2-yl]-1,2-oxazole

IUPAC name

35-dimethyl-4-[1-(5678-tetrahydronaphthalene-2-sulfonyl)pyrrolidin-2-yl]-12-oxazole

SMILES

Cc1noc(C)c1C(CCC1)N1S(c1cc(CCCC2)c2cc1)(=O)=O

InChI

InChI=1S/C19H24N2O3S/c1-13-19(14(2)24-20-13)18-8-5-11-21(18)25(22,23)17-10-9-15-6-3-4-7-16(15)12-17/h9-10,12,18H,3-8,11H2,1-2H3/t18-/m0/s1

InChI Key

HKKVCYXYNCEBHN-SFHVURJKSA-N

MDL Number (MFCD)

MFCD15077756

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.695

Distribution Coefficient, logD

3.695

Water Solubility, LogSw

-3.87

Polar Surface Area

54.473

Acid Dissociation Constant (pKa)

20.39

Base Dissociation Constant (pKb)

-2.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.60

J005-0631 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with J005-0631 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J005-0631?
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What is the minimum amount of J005-0631 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J005-0631
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J005-0631
  • 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 J005-0631 available by request