K813-0178 Screening compound: 3,5-diethyl 4-(2,3-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate

K813-0178 Screening compound: 3,5-diethyl 4-(2,3-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
K813-0178 Screening compound: 3,5-diethyl 4-(2,3-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K813-0178
3,5-diethyl 4-(2,3-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-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

K813-0178

Molecular Formula

C27H31NO6 (C27 H31 NO6)

Compound Name

3,5-diethyl 4-(2,3-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate

IUPAC name

35-diethyl 4-(23-dimethoxyphenyl)-1-(25-dimethylphenyl)-14-dihydropyridine-35-dicarboxylate

SMILES

CCOC(C(C(c(cccc1OC)c1OC)C(C(OCC)=O)=C1)=CN1c1c(C)ccc(C)c1)=O

InChI

InChI=1S/C27H31NO6/c1-7-33-26(29)20-15-28(22-14-17(3)12-13-18(22)4)16-21(27(30)34-8-2)24(20)19-10-9-11-23(31-5)25(19)32-6/h9-16,24H,7-8H2,1-6H3

InChI Key

MTCWUMHNGNQFPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02188765

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.235

Distribution Coefficient, logD

5.235

Water Solubility, LogSw

-5.07

Polar Surface Area

59.203

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with K813-0178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K813-0178?
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What is the minimum amount of K813-0178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K813-0178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K813-0178
  • 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 K813-0178 available by request