M050-3077 Screening compound: 4-amino-N-isopropyl-N-(3-pyridylmethyl)-3,5-isothiazoledicarboxamide

M050-3077 Screening compound: 4-amino-N-isopropyl-N-(3-pyridylmethyl)-3,5-isothiazoledicarboxamide
M050-3077 Screening compound: 4-amino-N-isopropyl-N-(3-pyridylmethyl)-3,5-isothiazoledicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M050-3077
4-amino-N-isopropyl-N-(3-pyridylmethyl)-3,5-isothiazoledicarboxamide

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

M050-3077

Molecular Formula

C14H17N5O2S (C14 H17 N5 O2 S)

Compound Name

4-amino-N-isopropyl-N-(3-pyridylmethyl)-3,5-isothiazoledicarboxamide

IUPAC name

4-amino-N3-(propan-2-yl)-N5-[(pyridin-3-yl)methyl]-12-thiazole-35-dicarboxamide

SMILES

CC(C)NC(c1nsc(C(NCc2cnccc2)=O)c1N)=O

InChI

InChI=1S/C14H17N5O2S/c1-8(2)18-13(20)11-10(15)12(22-19-11)14(21)17-7-9-4-3-5-16-6-9/h3-6,8H,7,15H2,1-2H3,(H,17,21)(H,18,20)

InChI Key

NBEOUZXISGVBBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22598127

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.337

Distribution Coefficient, logD

0.336

Water Solubility, LogSw

-1.49

Polar Surface Area

88.477

Acid Dissociation Constant (pKa)

12.46

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

M050-3077 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 M050-3077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M050-3077?
Check Price and Availability of M050-3077, 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 M050-3077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M050-3077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M050-3077
  • 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 M050-3077 available by request