M414-0530 Screening compound: 2-chloro-5-fluoro-N-{[1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl]methyl}benzamide

M414-0530 Screening compound: 2-chloro-5-fluoro-N-{[1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl]methyl}benzamide
M414-0530 Screening compound: 2-chloro-5-fluoro-N-{[1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M414-0530
2-chloro-5-fluoro-N-{[1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl]methyl}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

M414-0530

Molecular Formula

C18H17ClFN3O (C18 H17 ClFN3 O)

Compound Name

2-chloro-5-fluoro-N-{[1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl]methyl}benzamide

IUPAC name

2-chloro-5-fluoro-N-{[1-(propan-2-yl)-1H-13-benzodiazol-5-yl]methyl}benzamide

SMILES

CC(C)n1c(ccc(CNC(c(cc(cc2)F)c2Cl)=O)c2)c2nc1

InChI

InChI=1S/C18H17ClFN3O/c1-11(2)23-10-22-16-7-12(3-6-17(16)23)9-21-18(24)14-8-13(20)4-5-15(14)19/h3-8,10-11H,9H2,1-2H3,(H,21,24)

InChI Key

UHPHDCNHBLSPDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27540451

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.8

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.009

Distribution Coefficient, logD

4.007

Water Solubility, LogSw

-4.37

Polar Surface Area

35.899

Acid Dissociation Constant (pKa)

9.70

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

M414-0530 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M414-0530 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M414-0530?
Check Price and Availability of M414-0530, 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 M414-0530 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M414-0530
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M414-0530
  • 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 M414-0530 available by request