6828-0014 Screening compound: methyl 4-[(6-chloro-3-nitropyridin-2-yl)amino]benzoate

6828-0014 Screening compound: methyl 4-[(6-chloro-3-nitropyridin-2-yl)amino]benzoate
6828-0014 Screening compound: methyl 4-[(6-chloro-3-nitropyridin-2-yl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6828-0014
methyl 4-[(6-chloro-3-nitropyridin-2-yl)amino]benzoate

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

6828-0014

Molecular Formula

C13H10ClN3O4 (C13 H10 ClN3 O4)

Compound Name

methyl 4-[(6-chloro-3-nitropyridin-2-yl)amino]benzoate

IUPAC name

methyl 4-[(6-chloro-3-nitropyridin-2-yl)amino]benzoate

SMILES

COC(c(cc1)ccc1Nc(nc(cc1)Cl)c1[N+]([O-])=O)=O

InChI

InChI=1S/C13H10ClN3O4/c1-21-13(18)8-2-4-9(5-3-8)15-12-10(17(19)20)6-7-11(14)16-12/h2-7H,1H3,(H,15,16)

InChI Key

IGPIVTOCMFBYMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14712104

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.69

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.297

Distribution Coefficient, logD

3.297

Water Solubility, LogSw

-3.98

Polar Surface Area

72.528

Acid Dissociation Constant (pKa)

12.30

Base Dissociation Constant (pKb)

-2.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

6828-0014 in Drug Discovery

Included in Screening Libraries

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

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6828-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6828-0014?
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What is the minimum amount of 6828-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6828-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6828-0014
  • 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 6828-0014 available by request