K813-0051 Screening compound: 3,5-diethyl 1-(3,5-dimethylphenyl)-4-(3-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate

K813-0051 Screening compound: 3,5-diethyl 1-(3,5-dimethylphenyl)-4-(3-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
K813-0051 Screening compound: 3,5-diethyl 1-(3,5-dimethylphenyl)-4-(3-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K813-0051
3,5-diethyl 1-(3,5-dimethylphenyl)-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

K813-0051

Molecular Formula

C26H29NO5 (C26 H29 NO5)

Compound Name

3,5-diethyl 1-(3,5-dimethylphenyl)-4-(3-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate

IUPAC name

35-diethyl 1-(35-dimethylphenyl)-4-(3-methoxyphenyl)-14-dihydropyridine-35-dicarboxylate

SMILES

CCOC(C(C(c1cc(OC)ccc1)C(C(OCC)=O)=C1)=CN1c1cc(C)cc(C)c1)=O

InChI

InChI=1S/C26H29NO5/c1-6-31-25(28)22-15-27(20-12-17(3)11-18(4)13-20)16-23(26(29)32-7-2)24(22)19-9-8-10-21(14-19)30-5/h8-16,24H,6-7H2,1-5H3

InChI Key

WVHZVALLRZJSNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02105281

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.339

Distribution Coefficient, logD

5.339

Water Solubility, LogSw

-5.37

Polar Surface Area

51.700

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with K813-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K813-0051?
Check Price and Availability of K813-0051, 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 K813-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K813-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K813-0051
  • 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 K813-0051 available by request