M414-0133 Screening compound: 5-methyl-N-[(1-methyl-1H-1,3-benzodiazol-5-yl)methyl]thiophene-2-carboxamide

M414-0133 Screening compound: 5-methyl-N-[(1-methyl-1H-1,3-benzodiazol-5-yl)methyl]thiophene-2-carboxamide
M414-0133 Screening compound: 5-methyl-N-[(1-methyl-1H-1,3-benzodiazol-5-yl)methyl]thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M414-0133
5-methyl-N-[(1-methyl-1H-1,3-benzodiazol-5-yl)methyl]thiophene-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

M414-0133

Molecular Formula

C15H15N3OS (C15 H15 N3 OS)

Compound Name

5-methyl-N-[(1-methyl-1H-1,3-benzodiazol-5-yl)methyl]thiophene-2-carboxamide

IUPAC name

5-methyl-N-[(1-methyl-1H-13-benzodiazol-5-yl)methyl]thiophene-2-carboxamide

SMILES

Cc1ccc(C(NCc(cc2)cc3c2n(C)cn3)=O)s1

InChI

InChI=1S/C15H15N3OS/c1-10-3-6-14(20-10)15(19)16-8-11-4-5-13-12(7-11)17-9-18(13)2/h3-7,9H,8H2,1-2H3,(H,16,19)

InChI Key

RGQAOMFCJUQPCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27540400

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.533

Distribution Coefficient, logD

2.527

Water Solubility, LogSw

-2.85

Polar Surface Area

36.682

Acid Dissociation Constant (pKa)

12.62

Base Dissociation Constant (pKb)

5.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

M414-0133 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

CNS BBB Library (22607 compounds)

Fragments Library (11262 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with M414-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M414-0133?
Check Price and Availability of M414-0133, 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 M414-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M414-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M414-0133
  • 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 M414-0133 available by request