J005-1152 Screening compound: 5-ethyl-3-methyl-4-[1-(2,4,5-trimethylbenzenesulfonyl)pyrrolidin-2-yl]-1,2-oxazole

J005-1152 Screening compound: 5-ethyl-3-methyl-4-[1-(2,4,5-trimethylbenzenesulfonyl)pyrrolidin-2-yl]-1,2-oxazole
J005-1152 Screening compound: 5-ethyl-3-methyl-4-[1-(2,4,5-trimethylbenzenesulfonyl)pyrrolidin-2-yl]-1,2-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound J005-1152
5-ethyl-3-methyl-4-[1-(2,4,5-trimethylbenzenesulfonyl)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

J005-1152

Molecular Formula

C19H26N2O3S (C19 H26 N2 O3 S)

Compound Name

5-ethyl-3-methyl-4-[1-(2,4,5-trimethylbenzenesulfonyl)pyrrolidin-2-yl]-1,2-oxazole

IUPAC name

5-ethyl-3-methyl-4-[1-(245-trimethylbenzenesulfonyl)pyrrolidin-2-yl]-12-oxazole

SMILES

CCc1c(C(CCC2)N2S(c2c(C)cc(C)c(C)c2)(=O)=O)c(C)no1

InChI

InChI=1S/C19H26N2O3S/c1-6-17-19(15(5)20-24-17)16-8-7-9-21(16)25(22,23)18-11-13(3)12(2)10-14(18)4/h10-11,16H,6-9H2,1-5H3/t16-/m0/s1

InChI Key

MGSGJQJZBKLITF-INIZCTEOSA-N

MDL Number (MFCD)

MFCD15077847

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.228

Distribution Coefficient, logD

4.228

Water Solubility, LogSw

-4.09

Polar Surface Area

54.302

Acid Dissociation Constant (pKa)

20.97

Base Dissociation Constant (pKb)

-3.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.60

J005-1152 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with J005-1152 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J005-1152?
Check Price and Availability of J005-1152, 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 J005-1152 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J005-1152
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J005-1152
  • 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 J005-1152 available by request