M414-3300 Screening compound: 3,4-dichloro-N-[(1-propyl-1H-1,3-benzodiazol-5-yl)methyl]benzamide

M414-3300 Screening compound: 3,4-dichloro-N-[(1-propyl-1H-1,3-benzodiazol-5-yl)methyl]benzamide
M414-3300 Screening compound: 3,4-dichloro-N-[(1-propyl-1H-1,3-benzodiazol-5-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M414-3300
3,4-dichloro-N-[(1-propyl-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

M414-3300

Molecular Formula

C18H17Cl2N3O (C18 H17 Cl2 N3 O)

Compound Name

3,4-dichloro-N-[(1-propyl-1H-1,3-benzodiazol-5-yl)methyl]benzamide

IUPAC name

34-dichloro-N-[(1-propyl-1H-13-benzodiazol-5-yl)methyl]benzamide

SMILES

CCCn1c(ccc(CNC(c(cc2)cc(Cl)c2Cl)=O)c2)c2nc1

InChI

InChI=1S/C18H17Cl2N3O/c1-2-7-23-11-22-16-8-12(3-6-17(16)23)10-21-18(24)13-4-5-14(19)15(20)9-13/h3-6,8-9,11H,2,7,10H2,1H3,(H,21,24)

InChI Key

HWJCSRYUSGCPHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27540484

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.26

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.984

Distribution Coefficient, logD

3.981

Water Solubility, LogSw

-4.37

Polar Surface Area

35.086

Acid Dissociation Constant (pKa)

9.70

Base Dissociation Constant (pKb)

4.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

M414-3300 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Cardiovascular Library (22201 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular

References: we are preparing a list of scientific research reports with M414-3300 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M414-3300?
Check Price and Availability of M414-3300, 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 M414-3300 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M414-3300
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M414-3300
  • 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 M414-3300 available by request