M058-0110 Screening compound: N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-5-ETHYL-1-METHYL-4-OXO-1H,4H,5H-PYRROLO[3,2-C]PYRIDINE-2-CARBOXAMIDE

M058-0110 Screening compound: N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-5-ETHYL-1-METHYL-4-OXO-1H,4H,5H-PYRROLO[3,2-C]PYRIDINE-2-CARBOXAMIDE
M058-0110 Screening compound: N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-5-ETHYL-1-METHYL-4-OXO-1H,4H,5H-PYRROLO[3,2-C]PYRIDINE-2-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound M058-0110
N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-5-ETHYL-1-METHYL-4-OXO-1H,4H,5H-PYRROLO[3,2-C]PYRIDINE-2-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

M058-0110

Molecular Formula

C19H19N3O4 (C19 H19 N3 O4)

Compound Name

N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-5-ETHYL-1-METHYL-4-OXO-1H,4H,5H-PYRROLO[3,2-C]PYRIDINE-2-CARBOXAMIDE

IUPAC name

n/a

SMILES

CCN(C=Cc1c2cc(C(Nc(cc3)cc4c3OCCO4)=O)n1C)C2=O

InChI

InChI=1S/C19H19N3O4/c1-3-22-7-6-14-13(19(22)24)11-15(21(14)2)18(23)20-12-4-5-16-17(10-12)26-9-8-25-16/h4-7,10-11H,3,8-9H2,1-2H3,(H,20,23)

InChI Key

NCDOTUHARYAWMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27494648

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.272

Distribution Coefficient, logD

1.260

Water Solubility, LogSw

-2.47

Polar Surface Area

56.609

Acid Dissociation Constant (pKa)

8.95

Base Dissociation Constant (pKb)

-1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

M058-0110 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with M058-0110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M058-0110?
Check Price and Availability of M058-0110, 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 M058-0110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M058-0110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M058-0110
  • 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 M058-0110 available by request