4674-0907 Screening compound: ethyl 2-cyclohexyl-2-[(pyridin-2-yl)carbamoyl]acetate

4674-0907 Screening compound: ethyl 2-cyclohexyl-2-[(pyridin-2-yl)carbamoyl]acetate
4674-0907 Screening compound: ethyl 2-cyclohexyl-2-[(pyridin-2-yl)carbamoyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4674-0907
ethyl 2-cyclohexyl-2-[(pyridin-2-yl)carbamoyl]acetate

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

4674-0907

Molecular Formula

C16H22N2O3 (C16 H22 N2 O3)

Compound Name

ethyl 2-cyclohexyl-2-[(pyridin-2-yl)carbamoyl]acetate

IUPAC name

ethyl 2-cyclohexyl-2-[(pyridin-2-yl)carbamoyl]acetate

SMILES

CCOC(C(C1CCCCC1)C(Nc1ncccc1)=O)=O

InChI

InChI=1S/C16H22N2O3/c1-2-21-16(20)14(12-8-4-3-5-9-12)15(19)18-13-10-6-7-11-17-13/h6-7,10-12,14H,2-5,8-9H2,1H3,(H,17,18,19)/t14-/m0/s1

InChI Key

OVMWZBLNHFYYHG-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD02757230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.025

Distribution Coefficient, logD

3.024

Water Solubility, LogSw

-3.18

Polar Surface Area

53.890

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

2.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.30

4674-0907 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

CNS MPO Library (28609 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4674-0907 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4674-0907?
Check Price and Availability of 4674-0907, 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 4674-0907 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4674-0907
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4674-0907
  • 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 4674-0907 available by request