C200-5532 Screening compound: 3-(1,3-benzodioxol-5-yl)-5-(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-1,2,4-oxadiazole

C200-5532 Screening compound: 3-(1,3-benzodioxol-5-yl)-5-(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-1,2,4-oxadiazole
C200-5532 Screening compound: 3-(1,3-benzodioxol-5-yl)-5-(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-5532
3-(1,3-benzodioxol-5-yl)-5-(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-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

C200-5532

Molecular Formula

C22H15N5O3 (C22 H15 N5 O3)

Compound Name

3-(1,3-benzodioxol-5-yl)-5-(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-1,2,4-oxadiazole

IUPAC name

3-(2H-13-benzodioxol-5-yl)-5-{7-methyl-5-phenylpyrazolo[15-a]pyrimidin-2-yl}-124-oxadiazole

SMILES

Cc1cc(-c2ccccc2)nc2cc(-c3nc(-c(cc4)cc5c4OCO5)no3)nn12

InChI

InChI=1S/C22H15N5O3/c1-13-9-16(14-5-3-2-4-6-14)23-20-11-17(25-27(13)20)22-24-21(26-30-22)15-7-8-18-19(10-15)29-12-28-18/h2-11H,12H2,1H3

InChI Key

XOFUXDRCNWCUQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09844948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.030

Distribution Coefficient, logD

5.030

Water Solubility, LogSw

-4.82

Polar Surface Area

67.889

Acid Dissociation Constant (pKa)

25.67

Base Dissociation Constant (pKb)

3.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.09

C200-5532 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with C200-5532 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-5532?
Check Price and Availability of C200-5532, 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 C200-5532 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-5532
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-5532
  • 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 C200-5532 available by request