8011-9679 Screening compound: dimethyl 4-(6-chloro-1,3-benzodioxol-5-yl)-1-methyl-1,4-dihydro-3,5-pyridinedicarboxylate

8011-9679 Screening compound: dimethyl 4-(6-chloro-1,3-benzodioxol-5-yl)-1-methyl-1,4-dihydro-3,5-pyridinedicarboxylate
8011-9679 Screening compound: dimethyl 4-(6-chloro-1,3-benzodioxol-5-yl)-1-methyl-1,4-dihydro-3,5-pyridinedicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-9679
dimethyl 4-(6-chloro-1,3-benzodioxol-5-yl)-1-methyl-1,4-dihydro-3,5-pyridinedicarboxylate

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

8011-9679

Molecular Formula

C17H16ClNO6 (C17 H16 ClNO6)

Compound Name

dimethyl 4-(6-chloro-1,3-benzodioxol-5-yl)-1-methyl-1,4-dihydro-3,5-pyridinedicarboxylate

IUPAC name

35-dimethyl 4-(6-chloro-2H-13-benzodioxol-5-yl)-1-methyl-14-dihydropyridine-35-dicarboxylate

SMILES

CN(C=C(C1c(cc2OCOc2c2)c2Cl)C(OC)=O)C=C1C(OC)=O

InChI

InChI=1S/C17H16ClNO6/c1-19-6-10(16(20)22-2)15(11(7-19)17(21)23-3)9-4-13-14(5-12(9)18)25-8-24-13/h4-7,15H,8H2,1-3H3

InChI Key

BJZROMNRNJDBHK-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.77

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.413

Distribution Coefficient, logD

2.413

Water Solubility, LogSw

-3.08

Polar Surface Area

62.328

Acid Dissociation Constant (pKa)

28.93

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.41

References: we are preparing a list of scientific research reports with 8011-9679 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-9679?
Check Price and Availability of 8011-9679, 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 8011-9679 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-9679
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-9679
  • 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 8011-9679 available by request