3490-5440 Screening compound: propan-2-yl 2-methyl-4-(2-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate

3490-5440 Screening compound: propan-2-yl 2-methyl-4-(2-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
3490-5440 Screening compound: propan-2-yl 2-methyl-4-(2-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3490-5440
propan-2-yl 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

3490-5440

Molecular Formula

C16H18N2O5 (C16 H18 N2 O5)

Compound Name

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

IUPAC name

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

SMILES

CC(C)OC(C(C(C1)c(cccc2)c2[N+]([O-])=O)=C(C)NC1=O)=O

InChI

InChI=1S/C16H18N2O5/c1-9(2)23-16(20)15-10(3)17-14(19)8-12(15)11-6-4-5-7-13(11)18(21)22/h4-7,9,12H,8H2,1-3H3,(H,17,19)/t12-/m0/s1

InChI Key

BZCPDGMOYIBBFX-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD01994614

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.33

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.366

Distribution Coefficient, logD

1.426

Water Solubility, LogSw

-2.88

Polar Surface Area

77.952

Acid Dissociation Constant (pKa)

6.51

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with 3490-5440 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3490-5440?
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What is the minimum amount of 3490-5440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3490-5440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3490-5440
  • 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 3490-5440 available by request