K243-0057 Screening compound: 3-(4-bromophenyl)-6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

K243-0057 Screening compound: 3-(4-bromophenyl)-6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
K243-0057 Screening compound: 3-(4-bromophenyl)-6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine alternative view

Chemical Structure Depiction of ChemDiv screening compound K243-0057
3-(4-bromophenyl)-6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

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

K243-0057

Molecular Formula

C16H10BrN5O2S (C16 H10 BrN5 O2 S)

Compound Name

3-(4-bromophenyl)-6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

IUPAC name

3-(4-bromophenyl)-6-(3-nitrophenyl)-7H-[124]triazolo[34-b][134]thiadiazine

SMILES

[O-][N+](c1cccc(C(CS2)=Nn3c2nnc3-c(cc2)ccc2Br)c1)=O

InChI

InChI=1S/C16H10BrN5O2S/c17-12-6-4-10(5-7-12)15-18-19-16-21(15)20-14(9-25-16)11-2-1-3-13(8-11)22(23)24/h1-8H,9H2

InChI Key

OVGZGMCMOFXFEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15083675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.26

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.749

Distribution Coefficient, logD

4.749

Water Solubility, LogSw

-4.94

Polar Surface Area

67.340

Acid Dissociation Constant (pKa)

19.46

Base Dissociation Constant (pKb)

3.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

K243-0057 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with K243-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K243-0057?
Check Price and Availability of K243-0057, 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 K243-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K243-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K243-0057
  • 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 K243-0057 available by request