J057-0749 Screening compound: 2-[4-chloro-3-(pyrrolidine-1-sulfonyl)phenyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole

J057-0749 Screening compound: 2-[4-chloro-3-(pyrrolidine-1-sulfonyl)phenyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole
J057-0749 Screening compound: 2-[4-chloro-3-(pyrrolidine-1-sulfonyl)phenyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound J057-0749
2-[4-chloro-3-(pyrrolidine-1-sulfonyl)phenyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole

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

J057-0749

Molecular Formula

C19H18ClN3O4S (C19 H18 ClN3 O4 S)

Compound Name

2-[4-chloro-3-(pyrrolidine-1-sulfonyl)phenyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole

IUPAC name

2-[4-chloro-3-(pyrrolidine-1-sulfonyl)phenyl]-5-(2-methoxyphenyl)-134-oxadiazole

SMILES

COc(cccc1)c1-c1nnc(-c(cc2)cc(S(N3CCCC3)(=O)=O)c2Cl)o1

InChI

InChI=1S/C19H18ClN3O4S/c1-26-16-7-3-2-6-14(16)19-22-21-18(27-19)13-8-9-15(20)17(12-13)28(24,25)23-10-4-5-11-23/h2-3,6-9,12H,4-5,10-11H2,1H3

InChI Key

ADDQFWUBMLHSKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27222985

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.89

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

3.241

Distribution Coefficient, logD

3.241

Water Solubility, LogSw

-3.83

Polar Surface Area

70.190

Acid Dissociation Constant (pKa)

27.94

Base Dissociation Constant (pKb)

-4.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

J057-0749 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with J057-0749 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J057-0749?
Check Price and Availability of J057-0749, 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 J057-0749 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J057-0749
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J057-0749
  • 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 J057-0749 available by request