M422-0083 Screening compound: 4-AMINO-N-(3,4-DIMETHYLBENZYL)-3-(2-PYRIDYL)-5-ISOTHIAZOLECARBOXAMIDE

M422-0083 Screening compound: 4-AMINO-N-(3,4-DIMETHYLBENZYL)-3-(2-PYRIDYL)-5-ISOTHIAZOLECARBOXAMIDE
M422-0083 Screening compound: 4-AMINO-N-(3,4-DIMETHYLBENZYL)-3-(2-PYRIDYL)-5-ISOTHIAZOLECARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound M422-0083
4-AMINO-N-(3,4-DIMETHYLBENZYL)-3-(2-PYRIDYL)-5-ISOTHIAZOLECARBOXAMIDE

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

M422-0083

Molecular Formula

C18H18N4OS (C18 H18 N4 OS)

Compound Name

4-AMINO-N-(3,4-DIMETHYLBENZYL)-3-(2-PYRIDYL)-5-ISOTHIAZOLECARBOXAMIDE

IUPAC name

n/a

SMILES

Cc1c(C)cc(CNC(c(snc2-c3ncccc3)c2N)=O)cc1

InChI

InChI=1S/C18H18N4OS/c1-11-6-7-13(9-12(11)2)10-21-18(23)17-15(19)16(22-24-17)14-5-3-4-8-20-14/h3-9H,10,19H2,1-2H3,(H,21,23)

InChI Key

TUBSZBSLQALUKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27540816

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.322

Distribution Coefficient, logD

3.321

Water Solubility, LogSw

-3.59

Polar Surface Area

64.076

Acid Dissociation Constant (pKa)

13.20

Base Dissociation Constant (pKb)

4.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

M422-0083 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with M422-0083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M422-0083?
Check Price and Availability of M422-0083, 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 M422-0083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M422-0083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M422-0083
  • 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 M422-0083 available by request