6063-1416 Screening compound: N-[(1H-1,2,3-benzotriazol-1-yl)methyl]-4-methylpyridin-2-amine

6063-1416 Screening compound: N-[(1H-1,2,3-benzotriazol-1-yl)methyl]-4-methylpyridin-2-amine
6063-1416 Screening compound: N-[(1H-1,2,3-benzotriazol-1-yl)methyl]-4-methylpyridin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6063-1416
N-[(1H-1,2,3-benzotriazol-1-yl)methyl]-4-methylpyridin-2-amine

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

6063-1416

Molecular Formula

C13H13N5 (C13 H13 N5)

Compound Name

N-[(1H-1,2,3-benzotriazol-1-yl)methyl]-4-methylpyridin-2-amine

IUPAC name

N-[(1H-123-benzotriazol-1-yl)methyl]-4-methylpyridin-2-amine

SMILES

Cc1cc(NCn2nnc3c2cccc3)ncc1

InChI

InChI=1S/C13H13N5/c1-10-6-7-14-13(8-10)15-9-18-12-5-3-2-4-11(12)16-17-18/h2-8H,9H2,1H3,(H,14,15)

InChI Key

BXHNMSUFVJCUDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00444672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

239.28

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.235

Distribution Coefficient, logD

1.931

Water Solubility, LogSw

-2.06

Polar Surface Area

46.439

Acid Dissociation Constant (pKa)

18.36

Base Dissociation Constant (pKb)

7.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

6063-1416 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 6063-1416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6063-1416?
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What is the minimum amount of 6063-1416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6063-1416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6063-1416
  • 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 6063-1416 available by request