0165-0453 Screening compound: 2-(methylsulfanyl)-6-nitro-1,3-benzoxazole

0165-0453 Screening compound: 2-(methylsulfanyl)-6-nitro-1,3-benzoxazole
0165-0453 Screening compound: 2-(methylsulfanyl)-6-nitro-1,3-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 0165-0453
2-(methylsulfanyl)-6-nitro-1,3-benzoxazole

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

0165-0453

Molecular Formula

C8H6N2O3S (C8 H6 N2 O3 S)

Compound Name

2-(methylsulfanyl)-6-nitro-1,3-benzoxazole

IUPAC name

2-(methylsulfanyl)-6-nitro-13-benzoxazole

SMILES

CSc1nc(ccc([N+]([O-])=O)c2)c2o1

InChI

InChI=1S/C8H6N2O3S/c1-14-8-9-6-3-2-5(10(11)12)4-7(6)13-8/h2-4H,1H3

InChI Key

SMPNPJSWVLTCKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00600605

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

210.21

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.654

Distribution Coefficient, logD

2.654

Water Solubility, LogSw

-2.99

Polar Surface Area

50.283

Acid Dissociation Constant (pKa)

28.79

Base Dissociation Constant (pKb)

-2.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

0165-0453 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0165-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0165-0453?
Check Price and Availability of 0165-0453, 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 0165-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0165-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0165-0453
  • 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 0165-0453 available by request