M415-0067 Screening compound: N-[(1-methyl-1H-1,2,3-benzotriazol-5-yl)methyl]pyridine-3-carboxamide

M415-0067 Screening compound: N-[(1-methyl-1H-1,2,3-benzotriazol-5-yl)methyl]pyridine-3-carboxamide
M415-0067 Screening compound: N-[(1-methyl-1H-1,2,3-benzotriazol-5-yl)methyl]pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M415-0067
N-[(1-methyl-1H-1,2,3-benzotriazol-5-yl)methyl]pyridine-3-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

M415-0067

Molecular Formula

C14H13N5O (C14 H13 N5 O)

Compound Name

N-[(1-methyl-1H-1,2,3-benzotriazol-5-yl)methyl]pyridine-3-carboxamide

IUPAC name

N-[(1-methyl-1H-123-benzotriazol-5-yl)methyl]pyridine-3-carboxamide

SMILES

Cn1nnc2c1ccc(CNC(c1cnccc1)=O)c2

InChI

InChI=1S/C14H13N5O/c1-19-13-5-4-10(7-12(13)17-18-19)8-16-14(20)11-3-2-6-15-9-11/h2-7,9H,8H2,1H3,(H,16,20)

InChI Key

IXQHCCVLJWNUGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27540498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

267.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.382

Distribution Coefficient, logD

0.382

Water Solubility, LogSw

-1.13

Polar Surface Area

60.153

Acid Dissociation Constant (pKa)

11.49

Base Dissociation Constant (pKb)

3.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

M415-0067 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Fragments Library (11262 compounds)

SmartTM Library (51161 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M415-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M415-0067?
Check Price and Availability of M415-0067, 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 M415-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M415-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M415-0067
  • 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 M415-0067 available by request