8009-8224 Screening compound: 4-(1,3-benzoxazol-2-ylsulfanyl)-3-nitrobenzonitrile

8009-8224 Screening compound: 4-(1,3-benzoxazol-2-ylsulfanyl)-3-nitrobenzonitrile
8009-8224 Screening compound: 4-(1,3-benzoxazol-2-ylsulfanyl)-3-nitrobenzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-8224
4-(1,3-benzoxazol-2-ylsulfanyl)-3-nitrobenzonitrile

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

8009-8224

Molecular Formula

C14H7N3O3S (C14 H7 N3 O3 S)

Compound Name

4-(1,3-benzoxazol-2-ylsulfanyl)-3-nitrobenzonitrile

IUPAC name

4-(13-benzoxazol-2-ylsulfanyl)-3-nitrobenzonitrile

SMILES

N#Cc(cc1)cc([N+]([O-])=O)c1Sc1nc(cccc2)c2o1

InChI

InChI=1S/C14H7N3O3S/c15-8-9-5-6-13(11(7-9)17(18)19)21-14-16-10-3-1-2-4-12(10)20-14/h1-7H

InChI Key

AAMBIVWDDAAYHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01820556

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.29

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.241

Distribution Coefficient, logD

4.241

Water Solubility, LogSw

-4.68

Polar Surface Area

66.767

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-2.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8009-8224 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 8009-8224 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-8224?
Check Price and Availability of 8009-8224, 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 8009-8224 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-8224
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-8224
  • 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 8009-8224 available by request