K813-0107 Screening compound: 3,5-dimethyl 1-[(4-chlorophenyl)methyl]-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate

K813-0107 Screening compound: 3,5-dimethyl 1-[(4-chlorophenyl)methyl]-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
K813-0107 Screening compound: 3,5-dimethyl 1-[(4-chlorophenyl)methyl]-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K813-0107
3,5-dimethyl 1-[(4-chlorophenyl)methyl]-4-(thiophen-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

K813-0107

Molecular Formula

C20H18ClNO4S (C20 H18 ClNO4 S)

Compound Name

3,5-dimethyl 1-[(4-chlorophenyl)methyl]-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate

IUPAC name

35-dimethyl 1-[(4-chlorophenyl)methyl]-4-(thiophen-2-yl)-14-dihydropyridine-35-dicarboxylate

SMILES

COC(C(C1c2cccs2)=CN(Cc(cc2)ccc2Cl)C=C1C(OC)=O)=O

InChI

InChI=1S/C20H18ClNO4S/c1-25-19(23)15-11-22(10-13-5-7-14(21)8-6-13)12-16(20(24)26-2)18(15)17-4-3-9-27-17/h3-9,11-12,18H,10H2,1-2H3

InChI Key

NLUVSBGJNQKSTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02188043

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.89

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

3.835

Distribution Coefficient, logD

3.835

Water Solubility, LogSw

-4.43

Polar Surface Area

46.295

Acid Dissociation Constant (pKa)

33.10

Base Dissociation Constant (pKb)

-3.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with K813-0107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K813-0107?
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What is the minimum amount of K813-0107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K813-0107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K813-0107
  • 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 K813-0107 available by request