1630-0351 Screening compound: 3,5-dimethyl 2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

1630-0351 Screening compound: 3,5-dimethyl 2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
1630-0351 Screening compound: 3,5-dimethyl 2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1630-0351
3,5-dimethyl 2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

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

1630-0351

Molecular Formula

C17H18N2O6 (C17 H18 N2 O6)

Compound Name

3,5-dimethyl 2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

IUPAC name

35-dimethyl 26-dimethyl-4-(4-nitrophenyl)-14-dihydropyridine-35-dicarboxylate

SMILES

CC(NC(C)=C(C1c(cc2)ccc2[N+]([O-])=O)C(OC)=O)=C1C(OC)=O

InChI

InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-5-7-12(8-6-11)19(22)23/h5-8,15,18H,1-4H3

InChI Key

VFQXEYKTWNRSQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00375648

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.34

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.506

Distribution Coefficient, logD

-1.623

Water Solubility, LogSw

-2.93

Polar Surface Area

86.083

Acid Dissociation Constant (pKa)

3.27

Base Dissociation Constant (pKb)

-1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

1630-0351 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Ion Channels Annotated Library (353 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1630-0351 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1630-0351?
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What is the minimum amount of 1630-0351 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1630-0351
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1630-0351
  • 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 1630-0351 available by request