8010-7914 Screening compound: benzyl 4-[4-(methoxycarbonyl)phenyl]-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate

8010-7914 Screening compound: benzyl 4-[4-(methoxycarbonyl)phenyl]-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate
8010-7914 Screening compound: benzyl 4-[4-(methoxycarbonyl)phenyl]-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-7914
benzyl 4-[4-(methoxycarbonyl)phenyl]-2-methyl-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

8010-7914

Molecular Formula

C22H21NO5 (C22 H21 NO5)

Compound Name

benzyl 4-[4-(methoxycarbonyl)phenyl]-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate

IUPAC name

benzyl 4-[4-(methoxycarbonyl)phenyl]-2-methyl-6-oxo-1456-tetrahydropyridine-3-carboxylate

SMILES

CC(NC(CC1c(cc2)ccc2C(OC)=O)=O)=C1C(OCc1ccccc1)=O

InChI

InChI=1S/C22H21NO5/c1-14-20(22(26)28-13-15-6-4-3-5-7-15)18(12-19(24)23-14)16-8-10-17(11-9-16)21(25)27-2/h3-11,18H,12-13H2,1-2H3,(H,23,24)/t18-/m1/s1

InChI Key

DHOKHUZIWCIPDT-GOSISDBHSA-N

MDL Number (MFCD)

MFCD01994626

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.195

Distribution Coefficient, logD

2.473

Water Solubility, LogSw

-3.26

Polar Surface Area

66.471

Acid Dissociation Constant (pKa)

6.77

Base Dissociation Constant (pKb)

0.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.73

8010-7914 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8010-7914 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-7914?
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What is the minimum amount of 8010-7914 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-7914
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-7914
  • 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 8010-7914 available by request