8014-9413 Screening compound: 6-(2-chloro-4-nitrophenyl)-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione

8014-9413 Screening compound: 6-(2-chloro-4-nitrophenyl)-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione
8014-9413 Screening compound: 6-(2-chloro-4-nitrophenyl)-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-9413
6-(2-chloro-4-nitrophenyl)-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione

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

8014-9413

Molecular Formula

C13H6ClN3O4 (C13 H6 ClN3 O4)

Compound Name

6-(2-chloro-4-nitrophenyl)-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione

IUPAC name

6-(2-chloro-4-nitrophenyl)-5H6H7H-pyrrolo[34-b]pyridine-57-dione

SMILES

[O-][N+](c(cc1)cc(Cl)c1N(C(c1c2nccc1)=O)C2=O)=O

InChI

InChI=1S/C13H6ClN3O4/c14-9-6-7(17(20)21)3-4-10(9)16-12(18)8-2-1-5-15-11(8)13(16)19/h1-6H

InChI Key

MFIYKHTXGYTFNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03369573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.66

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.430

Distribution Coefficient, logD

1.430

Water Solubility, LogSw

-2.80

Polar Surface Area

71.869

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-5.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8014-9413 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8014-9413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-9413?
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What is the minimum amount of 8014-9413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-9413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-9413
  • 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 8014-9413 available by request