D676-2751 Screening compound: 1-{[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}-N-(4-sulfamoylphenyl)piperidine-4-carboxamide

D676-2751 Screening compound: 1-{[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
D676-2751 Screening compound: 1-{[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}-N-(4-sulfamoylphenyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D676-2751
1-{[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}-N-(4-sulfamoylphenyl)piperidine-4-carboxamide

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

D676-2751

Molecular Formula

C22H25N5O4S (C22 H25 N5 O4 S)

Compound Name

1-{[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}-N-(4-sulfamoylphenyl)piperidine-4-carboxamide

IUPAC name

1-{[5-(3-methylphenyl)-124-oxadiazol-3-yl]methyl}-N-(4-sulfamoylphenyl)piperidine-4-carboxamide

SMILES

Cc1cccc(-c2nc(CN(CC3)CCC3C(Nc(cc3)ccc3S(N)(=O)=O)=O)no2)c1

InChI

InChI=1S/C22H25N5O4S/c1-15-3-2-4-17(13-15)22-25-20(26-31-22)14-27-11-9-16(10-12-27)21(28)24-18-5-7-19(8-6-18)32(23,29)30/h2-8,13,16H,9-12,14H2,1H3,(H,24,28)(H2,23,29,30)

InChI Key

VRFBCPQYYSHZBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595737

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.732

Distribution Coefficient, logD

1.715

Water Solubility, LogSw

-2.59

Polar Surface Area

110.333

Acid Dissociation Constant (pKa)

9.63

Base Dissociation Constant (pKb)

5.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

D676-2751 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Antibacterial Compounds Library (13827 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Developmental Pathway (Hh/Wnt) Set (2238 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Others
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D676-2751 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D676-2751?
Check Price and Availability of D676-2751, 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 D676-2751 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D676-2751
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D676-2751
  • 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 D676-2751 available by request