4099-6543 Screening compound: 3,5-dimethyl 1-cyclopropyl-4-(3-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate

4099-6543 Screening compound: 3,5-dimethyl 1-cyclopropyl-4-(3-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
4099-6543 Screening compound: 3,5-dimethyl 1-cyclopropyl-4-(3-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4099-6543
3,5-dimethyl 1-cyclopropyl-4-(3-methoxyphenyl)-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

4099-6543

Molecular Formula

C19H21NO5 (C19 H21 NO5)

Compound Name

3,5-dimethyl 1-cyclopropyl-4-(3-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate

IUPAC name

35-dimethyl 1-cyclopropyl-4-(3-methoxyphenyl)-14-dihydropyridine-35-dicarboxylate

SMILES

COC(C(C1c2cc(OC)ccc2)=CN(C2CC2)C=C1C(OC)=O)=O

InChI

InChI=1S/C19H21NO5/c1-23-14-6-4-5-12(9-14)17-15(18(21)24-2)10-20(13-7-8-13)11-16(17)19(22)25-3/h4-6,9-11,13,17H,7-8H2,1-3H3

InChI Key

TXWPCZVXZLBQDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02766743

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.518

Distribution Coefficient, logD

2.518

Water Solubility, LogSw

-2.70

Polar Surface Area

52.704

Acid Dissociation Constant (pKa)

27.96

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

References: we are preparing a list of scientific research reports with 4099-6543 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4099-6543?
Check Price and Availability of 4099-6543, 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 4099-6543 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4099-6543
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4099-6543
  • 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 4099-6543 available by request