K807-0474 Screening compound: 2-(4-{[(4-methylphenyl)methyl]amino}-3-nitrophenyl)-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione

K807-0474 Screening compound: 2-(4-{[(4-methylphenyl)methyl]amino}-3-nitrophenyl)-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione
K807-0474 Screening compound: 2-(4-{[(4-methylphenyl)methyl]amino}-3-nitrophenyl)-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K807-0474
2-(4-{[(4-methylphenyl)methyl]amino}-3-nitrophenyl)-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-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

K807-0474

Molecular Formula

C22H21N3O4 (C22 H21 N3 O4)

Compound Name

2-(4-{[(4-methylphenyl)methyl]amino}-3-nitrophenyl)-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione

IUPAC name

2-(4-{[(4-methylphenyl)methyl]amino}-3-nitrophenyl)-233a477a-hexahydro-1H-isoindole-13-dione

SMILES

Cc1ccc(CNc(ccc(N(C(C2C3CC=CC2)=O)C3=O)c2)c2[N+]([O-])=O)cc1

InChI

InChI=1S/C22H21N3O4/c1-14-6-8-15(9-7-14)13-23-19-11-10-16(12-20(19)25(28)29)24-21(26)17-4-2-3-5-18(17)22(24)27/h2-3,6-12,17-18,23H,4-5,13H2,1H3

InChI Key

AHNYDKMEVVPRHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15109033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.43

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

3.741

Distribution Coefficient, logD

3.741

Water Solubility, LogSw

-4.04

Polar Surface Area

71.689

Acid Dissociation Constant (pKa)

15.87

Base Dissociation Constant (pKb)

-1.82

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.30

K807-0474 in Drug Discovery

Included in Screening Libraries

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

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with K807-0474 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K807-0474?
Check Price and Availability of K807-0474, 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 K807-0474 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K807-0474
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K807-0474
  • 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 K807-0474 available by request