J057-0298 Screening compound: 1-{3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl}azepane

J057-0298 Screening compound: 1-{3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl}azepane
J057-0298 Screening compound: 1-{3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl}azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound J057-0298
1-{3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl}azepane

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

J057-0298

Molecular Formula

C21H23N3O4S (C21 H23 N3 O4 S)

Compound Name

1-{3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl}azepane

IUPAC name

1-{3-[5-(4-methoxyphenyl)-134-oxadiazol-2-yl]benzenesulfonyl}azepane

SMILES

COc(cc1)ccc1-c1nnc(-c2cccc(S(N3CCCCCC3)(=O)=O)c2)o1

InChI

InChI=1S/C21H23N3O4S/c1-27-18-11-9-16(10-12-18)20-22-23-21(28-20)17-7-6-8-19(15-17)29(25,26)24-13-4-2-3-5-14-24/h6-12,15H,2-5,13-14H2,1H3

InChI Key

YMCUYHBLXZAPCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27222874

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.5

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

4.039

Distribution Coefficient, logD

4.039

Water Solubility, LogSw

-4.10

Polar Surface Area

70.068

Acid Dissociation Constant (pKa)

27.74

Base Dissociation Constant (pKb)

-4.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

J057-0298 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with J057-0298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J057-0298?
Check Price and Availability of J057-0298, 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 J057-0298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J057-0298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J057-0298
  • 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 J057-0298 available by request