M621-0180 Screening compound: N-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-3-{3-METHYL-3H-IMIDAZO[4,5-B]PYRIDIN-2-YL}BENZAMIDE

M621-0180 Screening compound: N-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-3-{3-METHYL-3H-IMIDAZO[4,5-B]PYRIDIN-2-YL}BENZAMIDE
M621-0180 Screening compound: N-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-3-{3-METHYL-3H-IMIDAZO[4,5-B]PYRIDIN-2-YL}BENZAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound M621-0180
N-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-3-{3-METHYL-3H-IMIDAZO[4,5-B]PYRIDIN-2-YL}BENZAMIDE

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

M621-0180

Molecular Formula

C22H18N4O3 (C22 H18 N4 O3)

Compound Name

N-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-3-{3-METHYL-3H-IMIDAZO[4,5-B]PYRIDIN-2-YL}BENZAMIDE

IUPAC name

n/a

SMILES

Cn1c(-c2cccc(C(NCc(cc3)cc4c3OCO4)=O)c2)nc2c1nccc2

InChI

InChI=1S/C22H18N4O3/c1-26-20(25-17-6-3-9-23-21(17)26)15-4-2-5-16(11-15)22(27)24-12-14-7-8-18-19(10-14)29-13-28-18/h2-11H,12-13H2,1H3,(H,24,27)

InChI Key

XFXDWNANUCFWKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27549268

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.130

Distribution Coefficient, logD

3.130

Water Solubility, LogSw

-3.28

Polar Surface Area

62.413

Acid Dissociation Constant (pKa)

13.59

Base Dissociation Constant (pKb)

4.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

M621-0180 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M621-0180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M621-0180?
Check Price and Availability of M621-0180, 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 M621-0180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M621-0180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M621-0180
  • 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 M621-0180 available by request