Y500-6968 Screening compound: 5-[1-methyl-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]-3-(2-thienyl)-1,2,4-oxadiazole

Y500-6968 Screening compound: 5-[1-methyl-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]-3-(2-thienyl)-1,2,4-oxadiazole
Y500-6968 Screening compound: 5-[1-methyl-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]-3-(2-thienyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound Y500-6968
5-[1-methyl-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]-3-(2-thienyl)-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

Y500-6968

Molecular Formula

C13H13N5O3S (C13 H13 N5 O3 S)

Compound Name

5-[1-methyl-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]-3-(2-thienyl)-1,2,4-oxadiazole

IUPAC name

5-[1-(5-methyl-3-nitro-1H-pyrazol-1-yl)propan-2-yl]-3-(thiophen-2-yl)-124-oxadiazole

SMILES

CC(Cn(c(C)c1)nc1[N+]([O-])=O)c1nc(-c2cccs2)no1

InChI

InChI=1S/C13H13N5O3S/c1-8(7-17-9(2)6-11(15-17)18(19)20)13-14-12(16-21-13)10-4-3-5-22-10/h3-6,8H,7H2,1-2H3/t8-/m0/s1

InChI Key

SEIDYQHFMXZOLP-QMMMGPOBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.844

Distribution Coefficient, logD

2.844

Water Solubility, LogSw

-3.13

Polar Surface Area

79.708

Acid Dissociation Constant (pKa)

25.42

Base Dissociation Constant (pKb)

-1.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.77

Y500-6968 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y500-6968 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y500-6968?
Check Price and Availability of Y500-6968, 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 Y500-6968 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y500-6968
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y500-6968
  • 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 Y500-6968 available by request