K837-0834 Screening compound: 3,5-dimethyl 4-[4-(benzyloxy)phenyl]-1-[(4-chlorophenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate

K837-0834 Screening compound: 3,5-dimethyl 4-[4-(benzyloxy)phenyl]-1-[(4-chlorophenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
K837-0834 Screening compound: 3,5-dimethyl 4-[4-(benzyloxy)phenyl]-1-[(4-chlorophenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K837-0834
3,5-dimethyl 4-[4-(benzyloxy)phenyl]-1-[(4-chlorophenyl)methyl]-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

K837-0834

Molecular Formula

C29H26ClNO5 (C29 H26 ClNO5)

Compound Name

3,5-dimethyl 4-[4-(benzyloxy)phenyl]-1-[(4-chlorophenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate

IUPAC name

35-dimethyl 4-[4-(benzyloxy)phenyl]-1-[(4-chlorophenyl)methyl]-14-dihydropyridine-35-dicarboxylate

SMILES

COC(C(C1c(cc2)ccc2OCc2ccccc2)=CN(Cc(cc2)ccc2Cl)C=C1C(OC)=O)=O

InChI

InChI=1S/C29H26ClNO5/c1-34-28(32)25-17-31(16-20-8-12-23(30)13-9-20)18-26(29(33)35-2)27(25)22-10-14-24(15-11-22)36-19-21-6-4-3-5-7-21/h3-15,17-18,27H,16,19H2,1-2H3

InChI Key

RCNJTHWWGLMWCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03632612

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.98

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.554

Distribution Coefficient, logD

5.554

Water Solubility, LogSw

-6.39

Polar Surface Area

52.504

Acid Dissociation Constant (pKa)

28.93

Base Dissociation Constant (pKb)

-3.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.20

K837-0834 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 K837-0834 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K837-0834?
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What is the minimum amount of K837-0834 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K837-0834
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K837-0834
  • 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 K837-0834 available by request