V028-0892 Screening compound: ethyl 1-{4-[(butylamino)carbonyl]benzyl}-2-methyl-4-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate

V028-0892 Screening compound: ethyl 1-{4-[(butylamino)carbonyl]benzyl}-2-methyl-4-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate
V028-0892 Screening compound: ethyl 1-{4-[(butylamino)carbonyl]benzyl}-2-methyl-4-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-0892
ethyl 1-{4-[(butylamino)carbonyl]benzyl}-2-methyl-4-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate

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

V028-0892

Molecular Formula

C28H34N2O4 (C28 H34 N2 O4)

Compound Name

ethyl 1-{4-[(butylamino)carbonyl]benzyl}-2-methyl-4-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate

IUPAC name

ethyl 1-{[4-(butylcarbamoyl)phenyl]methyl}-2-methyl-4-(4-methylphenyl)-6-oxo-1456-tetrahydropyridine-3-carboxylate

SMILES

CCCCNC(c1ccc(CN(C(C)=C(C(C2)c3ccc(C)cc3)C(OCC)=O)C2=O)cc1)=O

InChI

InChI=1S/C28H34N2O4/c1-5-7-16-29-27(32)23-14-10-21(11-15-23)18-30-20(4)26(28(33)34-6-2)24(17-25(30)31)22-12-8-19(3)9-13-22/h8-15,24H,5-7,16-18H2,1-4H3,(H,29,32)/t24-/m1/s1

InChI Key

XBQUNOMDXYLOOG-XMMPIXPASA-N

MDL Number (MFCD)

MFCD20008064

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.678

Distribution Coefficient, logD

4.678

Water Solubility, LogSw

-4.20

Polar Surface Area

61.128

Acid Dissociation Constant (pKa)

13.45

Base Dissociation Constant (pKb)

-1.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.29

V028-0892 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 V028-0892 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-0892?
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What is the minimum amount of V028-0892 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-0892
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-0892
  • 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 V028-0892 available by request