G487-0428 Screening compound: ethyl 4-{3-[2-(3-cyano-4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)acetamido]benzoyl}piperazine-1-carboxylate

G487-0428 Screening compound: ethyl 4-{3-[2-(3-cyano-4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)acetamido]benzoyl}piperazine-1-carboxylate
G487-0428 Screening compound: ethyl 4-{3-[2-(3-cyano-4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)acetamido]benzoyl}piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G487-0428
ethyl 4-{3-[2-(3-cyano-4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)acetamido]benzoyl}piperazine-1-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

G487-0428

Molecular Formula

C24H27N5O5 (C24 H27 N5 O5)

Compound Name

ethyl 4-{3-[2-(3-cyano-4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)acetamido]benzoyl}piperazine-1-carboxylate

IUPAC name

ethyl 4-{3-[2-(3-cyano-46-dimethyl-2-oxo-12-dihydropyridin-1-yl)acetamido]benzoyl}piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(c1cccc(NC(CN(C(C)=CC(C)=C2C#N)C2=O)=O)c1)=O)=O

InChI

InChI=1S/C24H27N5O5/c1-4-34-24(33)28-10-8-27(9-11-28)22(31)18-6-5-7-19(13-18)26-21(30)15-29-17(3)12-16(2)20(14-25)23(29)32/h5-7,12-13H,4,8-11,15H2,1-3H3,(H,26,30)

InChI Key

DYCKWZLAPXMGGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15014311

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.781

Distribution Coefficient, logD

1.781

Water Solubility, LogSw

-2.44

Polar Surface Area

95.061

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

-1.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

G487-0428 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G487-0428 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G487-0428?
Check Price and Availability of G487-0428, 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 G487-0428 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G487-0428
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G487-0428
  • 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 G487-0428 available by request