K807-0252 Screening compound: ethyl 1-[4-(1,3-dioxo-octahydro-1H-isoindol-2-yl)-2-nitrophenyl]piperidine-4-carboxylate

K807-0252 Screening compound: ethyl 1-[4-(1,3-dioxo-octahydro-1H-isoindol-2-yl)-2-nitrophenyl]piperidine-4-carboxylate
K807-0252 Screening compound: ethyl 1-[4-(1,3-dioxo-octahydro-1H-isoindol-2-yl)-2-nitrophenyl]piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K807-0252
ethyl 1-[4-(1,3-dioxo-octahydro-1H-isoindol-2-yl)-2-nitrophenyl]piperidine-4-carboxylate

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

K807-0252

Molecular Formula

C22H27N3O6 (C22 H27 N3 O6)

Compound Name

ethyl 1-[4-(1,3-dioxo-octahydro-1H-isoindol-2-yl)-2-nitrophenyl]piperidine-4-carboxylate

IUPAC name

ethyl 1-[4-(13-dioxo-octahydro-1H-isoindol-2-yl)-2-nitrophenyl]piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1c(ccc(N(C(C1C2CCCC1)=O)C2=O)c1)c1[N+]([O-])=O)=O

InChI

InChI=1S/C22H27N3O6/c1-2-31-22(28)14-9-11-23(12-10-14)18-8-7-15(13-19(18)25(29)30)24-20(26)16-5-3-4-6-17(16)21(24)27/h7-8,13-14,16-17H,2-6,9-12H2,1H3

InChI Key

MRSMMRLMXCMVOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05033143

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.727

Distribution Coefficient, logD

2.727

Water Solubility, LogSw

-3.11

Polar Surface Area

86.058

Acid Dissociation Constant (pKa)

17.93

Base Dissociation Constant (pKb)

0.09

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

59.10

K807-0252 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 K807-0252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K807-0252?
Check Price and Availability of K807-0252, 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 K807-0252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K807-0252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K807-0252
  • 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 K807-0252 available by request