K813-0130 Screening compound: 3,5-diethyl 1,2,6-trimethyl-4-(5-methylthiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate

K813-0130 Screening compound: 3,5-diethyl 1,2,6-trimethyl-4-(5-methylthiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
K813-0130 Screening compound: 3,5-diethyl 1,2,6-trimethyl-4-(5-methylthiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K813-0130
3,5-diethyl 1,2,6-trimethyl-4-(5-methylthiophen-2-yl)-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

K813-0130

Molecular Formula

C19H25NO4S (C19 H25 NO4 S)

Compound Name

3,5-diethyl 1,2,6-trimethyl-4-(5-methylthiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate

IUPAC name

35-diethyl 126-trimethyl-4-(5-methylthiophen-2-yl)-14-dihydropyridine-35-dicarboxylate

SMILES

CCOC(C(C1c2ccc(C)s2)=C(C)N(C)C(C)=C1C(OCC)=O)=O

InChI

InChI=1S/C19H25NO4S/c1-7-23-18(21)15-12(4)20(6)13(5)16(19(22)24-8-2)17(15)14-10-9-11(3)25-14/h9-10,17H,7-8H2,1-6H3

InChI Key

YNDCSDABJFNNIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02188198

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.742

Distribution Coefficient, logD

3.742

Water Solubility, LogSw

-3.83

Polar Surface Area

44.579

Acid Dissociation Constant (pKa)

28.71

Base Dissociation Constant (pKb)

-2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

K813-0130 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K813-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K813-0130?
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What is the minimum amount of K813-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K813-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K813-0130
  • 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 K813-0130 available by request