C276-1562 Screening compound: (4-methylphenyl)methyl 4-(2-ethoxyphenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate

C276-1562 Screening compound: (4-methylphenyl)methyl 4-(2-ethoxyphenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
C276-1562 Screening compound: (4-methylphenyl)methyl 4-(2-ethoxyphenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-1562
(4-methylphenyl)methyl 4-(2-ethoxyphenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-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

C276-1562

Molecular Formula

C23H25NO4 (C23 H25 NO4)

Compound Name

(4-methylphenyl)methyl 4-(2-ethoxyphenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate

IUPAC name

(4-methylphenyl)methyl 4-(2-ethoxyphenyl)-2-methyl-6-oxo-1456-tetrahydropyridine-3-carboxylate

SMILES

CCOc1c(C(C2)C(C(OCc3ccc(C)cc3)=O)=C(C)NC2=O)cccc1

InChI

InChI=1S/C23H25NO4/c1-4-27-20-8-6-5-7-18(20)19-13-21(25)24-16(3)22(19)23(26)28-14-17-11-9-15(2)10-12-17/h5-12,19H,4,13-14H2,1-3H3,(H,24,25)/t19-/m1/s1

InChI Key

TYANZMSFFRTDJQ-LJQANCHMSA-N

MDL Number (MFCD)

MFCD07613458

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.46

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

4.142

Distribution Coefficient, logD

3.421

Water Solubility, LogSw

-4.46

Polar Surface Area

52.507

Acid Dissociation Constant (pKa)

6.77

Base Dissociation Constant (pKb)

-0.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

C276-1562 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C276-1562 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-1562?
Check Price and Availability of C276-1562, 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 C276-1562 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-1562
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-1562
  • 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 C276-1562 available by request