J057-1212 Screening compound: 1-{5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzenesulfonyl}piperidine-4-carboxylic acid

J057-1212 Screening compound: 1-{5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzenesulfonyl}piperidine-4-carboxylic acid
J057-1212 Screening compound: 1-{5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzenesulfonyl}piperidine-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound J057-1212
1-{5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzenesulfonyl}piperidine-4-carboxylic acid

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

J057-1212

Molecular Formula

C23H25N3O7S (C23 H25 N3 O7 S)

Compound Name

1-{5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzenesulfonyl}piperidine-4-carboxylic acid

IUPAC name

1-{5-[5-(34-dimethoxyphenyl)-134-oxadiazol-2-yl]-2-methylbenzenesulfonyl}piperidine-4-carboxylic acid

SMILES

Cc(ccc(-c1nnc(-c(cc2)cc(OC)c2OC)o1)c1)c1S(N(CC1)CCC1C(O)=O)(=O)=O

InChI

InChI=1S/C23H25N3O7S/c1-14-4-5-17(13-20(14)34(29,30)26-10-8-15(9-11-26)23(27)28)22-25-24-21(33-22)16-6-7-18(31-2)19(12-16)32-3/h4-7,12-13,15H,8-11H2,1-3H3,(H,27,28)

InChI Key

QQHHQQIJNTXKOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27223076

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.53

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.180

Distribution Coefficient, logD

-0.380

Water Solubility, LogSw

-2.41

Polar Surface Area

105.862

Acid Dissociation Constant (pKa)

4.84

Base Dissociation Constant (pKb)

-3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

J057-1212 in Drug Discovery

Included in Screening Libraries

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

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 J057-1212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J057-1212?
Check Price and Availability of J057-1212, 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 J057-1212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J057-1212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J057-1212
  • 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 J057-1212 available by request