J005-1063 Screening compound: 5-[1-(3-chloro-4-methoxybenzenesulfonyl)pyrrolidin-2-yl]-3-ethyl-1,2-oxazole

J005-1063 Screening compound: 5-[1-(3-chloro-4-methoxybenzenesulfonyl)pyrrolidin-2-yl]-3-ethyl-1,2-oxazole
J005-1063 Screening compound: 5-[1-(3-chloro-4-methoxybenzenesulfonyl)pyrrolidin-2-yl]-3-ethyl-1,2-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound J005-1063
5-[1-(3-chloro-4-methoxybenzenesulfonyl)pyrrolidin-2-yl]-3-ethyl-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

J005-1063

Molecular Formula

C16H19ClN2O4S (C16 H19 ClN2 O4 S)

Compound Name

5-[1-(3-chloro-4-methoxybenzenesulfonyl)pyrrolidin-2-yl]-3-ethyl-1,2-oxazole

IUPAC name

5-[1-(3-chloro-4-methoxybenzenesulfonyl)pyrrolidin-2-yl]-3-ethyl-12-oxazole

SMILES

CCc1noc(C(CCC2)N2S(c(cc2)cc(Cl)c2OC)(=O)=O)c1

InChI

InChI=1S/C16H19ClN2O4S/c1-3-11-9-16(23-18-11)14-5-4-8-19(14)24(20,21)12-6-7-15(22-2)13(17)10-12/h6-7,9-10,14H,3-5,8H2,1-2H3/t14-/m0/s1

InChI Key

CAPXYRGDWNNTTA-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD15077810

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.86

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.168

Distribution Coefficient, logD

3.168

Water Solubility, LogSw

-3.37

Polar Surface Area

62.447

Acid Dissociation Constant (pKa)

24.55

Base Dissociation Constant (pKb)

-3.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.80

J005-1063 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with J005-1063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J005-1063?
Check Price and Availability of J005-1063, 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 J005-1063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J005-1063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J005-1063
  • 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 J005-1063 available by request