6151-0078 Screening compound: 2-chloro-6-[(4-acetamidophenyl)amino]-4-nitropyridin-1-ium-1-olate

6151-0078 Screening compound: 2-chloro-6-[(4-acetamidophenyl)amino]-4-nitropyridin-1-ium-1-olate
6151-0078 Screening compound: 2-chloro-6-[(4-acetamidophenyl)amino]-4-nitropyridin-1-ium-1-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6151-0078
2-chloro-6-[(4-acetamidophenyl)amino]-4-nitropyridin-1-ium-1-olate

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

6151-0078

Molecular Formula

C13H11ClN4O4 (C13 H11 ClN4 O4)

Compound Name

2-chloro-6-[(4-acetamidophenyl)amino]-4-nitropyridin-1-ium-1-olate

IUPAC name

2-chloro-6-[(4-acetamidophenyl)amino]-4-nitropyridin-1-ium-1-olate

SMILES

CC(Nc(cc1)ccc1Nc1cc([N+]([O-])=O)cc(Cl)[n+]1[O-])=O

InChI

InChI=1S/C13H11ClN4O4/c1-8(19)15-9-2-4-10(5-3-9)16-13-7-11(18(21)22)6-12(14)17(13)20/h2-7,16H,1H3,(H,15,19)

InChI Key

UAYWELHGTMJAGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14711213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.71

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.433

Distribution Coefficient, logD

2.433

Water Solubility, LogSw

-3.36

Polar Surface Area

85.034

Acid Dissociation Constant (pKa)

13.08

Base Dissociation Constant (pKb)

1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

6151-0078 in Drug Discovery

Included in Screening Libraries

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

Human Receptors Annotated Library (5376 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 6151-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6151-0078?
Check Price and Availability of 6151-0078, 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 6151-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6151-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6151-0078
  • 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 6151-0078 available by request