K243-0238 Screening compound: 2-[6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]phenol

K243-0238 Screening compound: 2-[6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]phenol
K243-0238 Screening compound: 2-[6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound K243-0238
2-[6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]phenol

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

K243-0238

Molecular Formula

C16H11N5O3S (C16 H11 N5 O3 S)

Compound Name

2-[6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]phenol

IUPAC name

2-[6-(3-nitrophenyl)-7H-[124]triazolo[34-b][134]thiadiazin-3-yl]phenol

SMILES

[O-][N+](c1cccc(C(CS2)=Nn3c2nnc3-c(cccc2)c2O)c1)=O

InChI

InChI=1S/C16H11N5O3S/c22-14-7-2-1-6-12(14)15-17-18-16-20(15)19-13(9-25-16)10-4-3-5-11(8-10)21(23)24/h1-8,22H,9H2

InChI Key

NPEWMSBNILIWKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15083705

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.932

Distribution Coefficient, logD

3.904

Water Solubility, LogSw

-3.39

Polar Surface Area

83.888

Acid Dissociation Constant (pKa)

8.58

Base Dissociation Constant (pKb)

3.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

K243-0238 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Hsp90-Targeted Library (11355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with K243-0238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K243-0238?
Check Price and Availability of K243-0238, 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 K243-0238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K243-0238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K243-0238
  • 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 K243-0238 available by request