C200-8028 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-5-[4-(3-methylphenyl)-3-(1H-pyrrol-1-yl)thiophen-2-yl]-1,2,4-oxadiazole

C200-8028 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-5-[4-(3-methylphenyl)-3-(1H-pyrrol-1-yl)thiophen-2-yl]-1,2,4-oxadiazole
C200-8028 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-5-[4-(3-methylphenyl)-3-(1H-pyrrol-1-yl)thiophen-2-yl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-8028
3-(2H-1,3-benzodioxol-5-yl)-5-[4-(3-methylphenyl)-3-(1H-pyrrol-1-yl)thiophen-2-yl]-1,2,4-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

C200-8028

Molecular Formula

C24H17N3O3S (C24 H17 N3 O3 S)

Compound Name

3-(2H-1,3-benzodioxol-5-yl)-5-[4-(3-methylphenyl)-3-(1H-pyrrol-1-yl)thiophen-2-yl]-1,2,4-oxadiazole

IUPAC name

3-(2H-13-benzodioxol-5-yl)-5-[4-(3-methylphenyl)-3-(1H-pyrrol-1-yl)thiophen-2-yl]-124-oxadiazole

SMILES

Cc1cccc(-c2csc(-c3nc(-c(cc4)cc5c4OCO5)no3)c2-n2cccc2)c1

InChI

InChI=1S/C24H17N3O3S/c1-15-5-4-6-16(11-15)18-13-31-22(21(18)27-9-2-3-10-27)24-25-23(26-30-24)17-7-8-19-20(12-17)29-14-28-19/h2-13H,14H2,1H3

InChI Key

IYOFHXNXPYXIOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26962363

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.884

Distribution Coefficient, logD

6.884

Water Solubility, LogSw

-5.91

Polar Surface Area

52.890

Acid Dissociation Constant (pKa)

28.92

Base Dissociation Constant (pKb)

-3.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

C200-8028 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiparasite Library (23996 compounds)

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:
  • Immune system
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C200-8028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-8028?
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What is the minimum amount of C200-8028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-8028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-8028
  • 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 C200-8028 available by request