0529-0011 Screening compound: 2-chloro-4-(methoxymethyl)-6-methyl-5-nitropyridine-3-carbonitrile

0529-0011 Screening compound: 2-chloro-4-(methoxymethyl)-6-methyl-5-nitropyridine-3-carbonitrile
0529-0011 Screening compound: 2-chloro-4-(methoxymethyl)-6-methyl-5-nitropyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 0529-0011
2-chloro-4-(methoxymethyl)-6-methyl-5-nitropyridine-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

0529-0011

Molecular Formula

C9H8ClN3O3 (C9 H8 ClN3 O3)

Compound Name

2-chloro-4-(methoxymethyl)-6-methyl-5-nitropyridine-3-carbonitrile

IUPAC name

2-chloro-4-(methoxymethyl)-6-methyl-5-nitropyridine-3-carbonitrile

SMILES

Cc(nc(c(C#N)c1COC)Cl)c1[N+]([O-])=O

InChI

InChI=1S/C9H8ClN3O3/c1-5-8(13(14)15)7(4-16-2)6(3-11)9(10)12-5/h4H2,1-2H3

InChI Key

KGHLPTCKXVCLBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00065221

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

241.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.761

Distribution Coefficient, logD

1.761

Water Solubility, LogSw

-2.47

Polar Surface Area

68.328

Acid Dissociation Constant (pKa)

27.56

Base Dissociation Constant (pKb)

-5.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

0529-0011 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0529-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0529-0011?
Check Price and Availability of 0529-0011, 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 0529-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0529-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0529-0011
  • 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 0529-0011 available by request