K813-0121 Screening compound: 3,5-dimethyl 4-(2,3-dimethoxyphenyl)-1-(1-phenylethyl)-1,4-dihydropyridine-3,5-dicarboxylate

K813-0121 Screening compound: 3,5-dimethyl 4-(2,3-dimethoxyphenyl)-1-(1-phenylethyl)-1,4-dihydropyridine-3,5-dicarboxylate
K813-0121 Screening compound: 3,5-dimethyl 4-(2,3-dimethoxyphenyl)-1-(1-phenylethyl)-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K813-0121
3,5-dimethyl 4-(2,3-dimethoxyphenyl)-1-(1-phenylethyl)-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

K813-0121

Molecular Formula

C25H27NO6 (C25 H27 NO6)

Compound Name

3,5-dimethyl 4-(2,3-dimethoxyphenyl)-1-(1-phenylethyl)-1,4-dihydropyridine-3,5-dicarboxylate

IUPAC name

35-dimethyl 4-(23-dimethoxyphenyl)-1-(1-phenylethyl)-14-dihydropyridine-35-dicarboxylate

SMILES

CC(c1ccccc1)N(C=C(C1c(cccc2OC)c2OC)C(OC)=O)C=C1C(OC)=O

InChI

InChI=1S/C25H27NO6/c1-16(17-10-7-6-8-11-17)26-14-19(24(27)31-4)22(20(15-26)25(28)32-5)18-12-9-13-21(29-2)23(18)30-3/h6-16,22H,1-5H3/t16-/m0/s1

InChI Key

NSWGSDPDMCMKIV-INIZCTEOSA-N

MDL Number (MFCD)

MFCD02188172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.775

Distribution Coefficient, logD

3.775

Water Solubility, LogSw

-4.05

Polar Surface Area

60.296

Acid Dissociation Constant (pKa)

28.93

Base Dissociation Constant (pKb)

-2.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

References: we are preparing a list of scientific research reports with K813-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K813-0121?
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What is the minimum amount of K813-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K813-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K813-0121
  • 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 K813-0121 available by request