Y200-4990 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-5-(3-bromophenyl)-1,3,4-oxadiazole

Y200-4990 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-5-(3-bromophenyl)-1,3,4-oxadiazole
Y200-4990 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-5-(3-bromophenyl)-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound Y200-4990
2-(2H-1,3-benzodioxol-5-yl)-5-(3-bromophenyl)-1,3,4-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

Y200-4990

Molecular Formula

C15H9BrN2O3 (C15 H9 BrN2 O3)

Compound Name

2-(2H-1,3-benzodioxol-5-yl)-5-(3-bromophenyl)-1,3,4-oxadiazole

IUPAC name

2-(2H-13-benzodioxol-5-yl)-5-(3-bromophenyl)-134-oxadiazole

SMILES

Brc1cc(-c2nnc(-c(cc3)cc4c3OCO4)o2)ccc1

InChI

InChI=1S/C15H9BrN2O3/c16-11-3-1-2-9(6-11)14-17-18-15(21-14)10-4-5-12-13(7-10)20-8-19-12/h1-7H,8H2

InChI Key

KVPUQJAGCNWQMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01923816

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.15

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.074

Distribution Coefficient, logD

4.074

Water Solubility, LogSw

-4.39

Polar Surface Area

47.598

Acid Dissociation Constant (pKa)

37.89

Base Dissociation Constant (pKb)

-3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

Y200-4990 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

SmartTM Library (51161 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with Y200-4990 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y200-4990?
Check Price and Availability of Y200-4990, 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 Y200-4990 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y200-4990
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y200-4990
  • 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 Y200-4990 available by request