G415-5583 Screening compound: ethyl 3-[4-methyl-2-(piperidin-1-yl)pyrimidine-5-amido]benzoate

G415-5583 Screening compound: ethyl 3-[4-methyl-2-(piperidin-1-yl)pyrimidine-5-amido]benzoate
G415-5583 Screening compound: ethyl 3-[4-methyl-2-(piperidin-1-yl)pyrimidine-5-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G415-5583
ethyl 3-[4-methyl-2-(piperidin-1-yl)pyrimidine-5-amido]benzoate

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

G415-5583

Molecular Formula

C20H24N4O3 (C20 H24 N4 O3)

Compound Name

ethyl 3-[4-methyl-2-(piperidin-1-yl)pyrimidine-5-amido]benzoate

IUPAC name

ethyl 3-[4-methyl-2-(piperidin-1-yl)pyrimidine-5-amido]benzoate

SMILES

CCOC(c1cc(NC(c2c(C)nc(N3CCCCC3)nc2)=O)ccc1)=O

InChI

InChI=1S/C20H24N4O3/c1-3-27-19(26)15-8-7-9-16(12-15)23-18(25)17-13-21-20(22-14(17)2)24-10-5-4-6-11-24/h7-9,12-13H,3-6,10-11H2,1-2H3,(H,23,25)

InChI Key

JSSXBPRHMPBTES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15011474

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.724

Distribution Coefficient, logD

3.717

Water Solubility, LogSw

-3.77

Polar Surface Area

66.132

Acid Dissociation Constant (pKa)

9.22

Base Dissociation Constant (pKb)

9.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

G415-5583 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

Integrin Receptors Targeted library (1715 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with G415-5583 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G415-5583?
Check Price and Availability of G415-5583, 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 G415-5583 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G415-5583
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G415-5583
  • 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 G415-5583 available by request