8007-0794 Screening compound: 5-amino-2-chloro-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

8007-0794 Screening compound: 5-amino-2-chloro-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
8007-0794 Screening compound: 5-amino-2-chloro-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-0794
5-amino-2-chloro-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

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

8007-0794

Molecular Formula

C9H10ClN3O (C9 H10 ClN3 O)

Compound Name

5-amino-2-chloro-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

IUPAC name

5-amino-2-chloro-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

SMILES

Cc(nc(c(C#N)c1COC)Cl)c1N

InChI

InChI=1S/C9H10ClN3O/c1-5-8(12)7(4-14-2)6(3-11)9(10)13-5/h4,12H2,1-2H3

InChI Key

LKJVOGPXZAZBHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00160279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

211.65

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.165

Distribution Coefficient, logD

1.165

Water Solubility, LogSw

-2.17

Polar Surface Area

54.935

Acid Dissociation Constant (pKa)

17.91

Base Dissociation Constant (pKb)

1.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8007-0794 in Drug Discovery

Included in Screening Libraries

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

Fragments Library (11262 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8007-0794 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-0794?
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What is the minimum amount of 8007-0794 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-0794
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-0794
  • 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 8007-0794 available by request