8228-3998 Screening compound: 2-[3-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]phenol

8228-3998 Screening compound: 2-[3-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]phenol
8228-3998 Screening compound: 2-[3-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8228-3998
2-[3-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-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

8228-3998

Molecular Formula

C16H11ClN4OS (C16 H11 ClN4 OS)

Compound Name

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

IUPAC name

2-[3-(4-chlorophenyl)-7H-[124]triazolo[34-b][134]thiadiazin-6-yl]phenol

SMILES

Oc(cccc1)c1C(CS1)=Nn2c1nnc2-c(cc1)ccc1Cl

InChI

InChI=1S/C16H11ClN4OS/c17-11-7-5-10(6-8-11)15-18-19-16-21(15)20-13(9-23-16)12-3-1-2-4-14(12)22/h1-8,22H,9H2

InChI Key

YJEFYHVNDQAQGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06636024

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.81

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.756

Distribution Coefficient, logD

4.615

Water Solubility, LogSw

-4.61

Polar Surface Area

50.506

Acid Dissociation Constant (pKa)

7.82

Base Dissociation Constant (pKb)

4.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

8228-3998 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 8228-3998 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8228-3998?
Check Price and Availability of 8228-3998, 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 8228-3998 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8228-3998
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8228-3998
  • 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 8228-3998 available by request