5071-7721 Screening compound: 3,5-dimethyl 1-cyclopentyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

5071-7721 Screening compound: 3,5-dimethyl 1-cyclopentyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
5071-7721 Screening compound: 3,5-dimethyl 1-cyclopentyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5071-7721
3,5-dimethyl 1-cyclopentyl-4-(3-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

5071-7721

Molecular Formula

C20H22N2O6 (C20 H22 N2 O6)

Compound Name

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

IUPAC name

35-dimethyl 1-cyclopentyl-4-(3-nitrophenyl)-14-dihydropyridine-35-dicarboxylate

SMILES

COC(C(C1c2cccc([N+]([O-])=O)c2)=CN(C2CCCC2)C=C1C(OC)=O)=O

InChI

InChI=1S/C20H22N2O6/c1-27-19(23)16-11-21(14-7-3-4-8-14)12-17(20(24)28-2)18(16)13-6-5-9-15(10-13)22(25)26/h5-6,9-12,14,18H,3-4,7-8H2,1-2H3

InChI Key

AMWLPHIWONTGTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03312406

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.949

Distribution Coefficient, logD

2.949

Water Solubility, LogSw

-3.23

Polar Surface Area

78.577

Acid Dissociation Constant (pKa)

27.93

Base Dissociation Constant (pKb)

0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 5071-7721 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5071-7721?
Check Price and Availability of 5071-7721, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5071-7721 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5071-7721
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5071-7721
  • 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 5071-7721 available by request