M830-6598 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-[(4-methylphenyl)amino]-1,3-thiazole-5-carboxamide

M830-6598 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-[(4-methylphenyl)amino]-1,3-thiazole-5-carboxamide
M830-6598 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-[(4-methylphenyl)amino]-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M830-6598
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-[(4-methylphenyl)amino]-1,3-thiazole-5-carboxamide

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

M830-6598

Molecular Formula

C20H19N3O3S (C20 H19 N3 O3 S)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-[(4-methylphenyl)amino]-1,3-thiazole-5-carboxamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-4-methyl-2-[(4-methylphenyl)amino]-13-thiazole-5-carboxamide

SMILES

Cc1c(C(Nc(cc2)cc3c2OCCO3)=O)sc(Nc2ccc(C)cc2)n1

InChI

InChI=1S/C20H19N3O3S/c1-12-3-5-14(6-4-12)23-20-21-13(2)18(27-20)19(24)22-15-7-8-16-17(11-15)26-10-9-25-16/h3-8,11H,9-10H2,1-2H3,(H,21,23)(H,22,24)

InChI Key

GPSOLUQJVSSFSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27555444

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.926

Distribution Coefficient, logD

3.923

Water Solubility, LogSw

-3.97

Polar Surface Area

58.688

Acid Dissociation Constant (pKa)

9.57

Base Dissociation Constant (pKb)

4.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

M830-6598 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with M830-6598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M830-6598?
Check Price and Availability of M830-6598, 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 M830-6598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M830-6598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M830-6598
  • 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 M830-6598 available by request