L568-0028 Screening compound: N-(2-{[(5-PHENYL-1,3,4-OXADIAZOL-2-YL)METHYL]SULFANYL}PHENYL)-1,3-BENZODIOXOLE-5-CARBOXAMIDE

L568-0028 Screening compound: N-(2-{[(5-PHENYL-1,3,4-OXADIAZOL-2-YL)METHYL]SULFANYL}PHENYL)-1,3-BENZODIOXOLE-5-CARBOXAMIDE
L568-0028 Screening compound: N-(2-{[(5-PHENYL-1,3,4-OXADIAZOL-2-YL)METHYL]SULFANYL}PHENYL)-1,3-BENZODIOXOLE-5-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound L568-0028
N-(2-{[(5-PHENYL-1,3,4-OXADIAZOL-2-YL)METHYL]SULFANYL}PHENYL)-1,3-BENZODIOXOLE-5-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

L568-0028

Molecular Formula

C23H17N3O4S (C23 H17 N3 O4 S)

Compound Name

N-(2-{[(5-PHENYL-1,3,4-OXADIAZOL-2-YL)METHYL]SULFANYL}PHENYL)-1,3-BENZODIOXOLE-5-CARBOXAMIDE

IUPAC name

N-(2-{[(5-phenyl-134-oxadiazol-2-yl)methyl]sulfanyl}phenyl)-2H-13-benzodioxole-5-carboxamide

SMILES

O=C(c(cc1)cc2c1OCO2)Nc(cccc1)c1SCc1nnc(-c2ccccc2)o1

InChI

InChI=1S/C23H17N3O4S/c27-22(16-10-11-18-19(12-16)29-14-28-18)24-17-8-4-5-9-20(17)31-13-21-25-26-23(30-21)15-6-2-1-3-7-15/h1-12H,13-14H2,(H,24,27)

InChI Key

QQTDXXIKHIFDMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27463266

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.214

Distribution Coefficient, logD

4.214

Water Solubility, LogSw

-4.41

Polar Surface Area

69.657

Acid Dissociation Constant (pKa)

12.10

Base Dissociation Constant (pKb)

-3.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

L568-0028 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L568-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L568-0028?
Check Price and Availability of L568-0028, 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 L568-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L568-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L568-0028
  • 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 L568-0028 available by request