K813-0030 Screening compound: 3,5-dimethyl 1-[(4-fluorophenyl)methyl]-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate

K813-0030 Screening compound: 3,5-dimethyl 1-[(4-fluorophenyl)methyl]-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
K813-0030 Screening compound: 3,5-dimethyl 1-[(4-fluorophenyl)methyl]-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K813-0030
3,5-dimethyl 1-[(4-fluorophenyl)methyl]-4-(3,4,5-trimethoxyphenyl)-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

K813-0030

Molecular Formula

C25H26FNO7 (C25 H26 FNO7)

Compound Name

3,5-dimethyl 1-[(4-fluorophenyl)methyl]-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate

IUPAC name

35-dimethyl 1-[(4-fluorophenyl)methyl]-4-(345-trimethoxyphenyl)-14-dihydropyridine-35-dicarboxylate

SMILES

COC(C(C1c(cc2OC)cc(OC)c2OC)=CN(Cc(cc2)ccc2F)C=C1C(OC)=O)=O

InChI

InChI=1S/C25H26FNO7/c1-30-20-10-16(11-21(31-2)23(20)32-3)22-18(24(28)33-4)13-27(14-19(22)25(29)34-5)12-15-6-8-17(26)9-7-15/h6-11,13-14,22H,12H2,1-5H3

InChI Key

FWLARKPWDNSLGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02104975

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.373

Distribution Coefficient, logD

3.373

Water Solubility, LogSw

-3.50

Polar Surface Area

68.255

Acid Dissociation Constant (pKa)

28.93

Base Dissociation Constant (pKb)

-2.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

K813-0030 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K813-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K813-0030?
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What is the minimum amount of K813-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K813-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K813-0030
  • 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 K813-0030 available by request