C276-1055 Screening compound: 2-phenoxyethyl 2-methyl-4-(2-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate

C276-1055 Screening compound: 2-phenoxyethyl 2-methyl-4-(2-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
C276-1055 Screening compound: 2-phenoxyethyl 2-methyl-4-(2-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-1055
2-phenoxyethyl 2-methyl-4-(2-nitrophenyl)-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

C276-1055

Molecular Formula

C21H20N2O6 (C21 H20 N2 O6)

Compound Name

2-phenoxyethyl 2-methyl-4-(2-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate

IUPAC name

2-phenoxyethyl 2-methyl-4-(2-nitrophenyl)-6-oxo-1456-tetrahydropyridine-3-carboxylate

SMILES

CC(NC(CC1c(cccc2)c2[N+]([O-])=O)=O)=C1C(OCCOc1ccccc1)=O

InChI

InChI=1S/C21H20N2O6/c1-14-20(21(25)29-12-11-28-15-7-3-2-4-8-15)17(13-19(24)22-14)16-9-5-6-10-18(16)23(26)27/h2-10,17H,11-13H2,1H3,(H,22,24)/t17-/m0/s1

InChI Key

NOFPUFQEFGLMFW-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD06759503

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.910

Distribution Coefficient, logD

1.970

Water Solubility, LogSw

-3.34

Polar Surface Area

85.714

Acid Dissociation Constant (pKa)

6.51

Base Dissociation Constant (pKb)

-0.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with C276-1055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-1055?
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What is the minimum amount of C276-1055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-1055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-1055
  • 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 C276-1055 available by request