8016-6181 Screening compound: 3,5-dimethyl 4-[3-methoxy-2-(propan-2-yloxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate

8016-6181 Screening compound: 3,5-dimethyl 4-[3-methoxy-2-(propan-2-yloxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
8016-6181 Screening compound: 3,5-dimethyl 4-[3-methoxy-2-(propan-2-yloxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-6181
3,5-dimethyl 4-[3-methoxy-2-(propan-2-yloxy)phenyl]-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

8016-6181

Molecular Formula

C19H23NO6 (C19 H23 NO6)

Compound Name

3,5-dimethyl 4-[3-methoxy-2-(propan-2-yloxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate

IUPAC name

35-dimethyl 4-[3-methoxy-2-(propan-2-yloxy)phenyl]-14-dihydropyridine-35-dicarboxylate

SMILES

CC(C)Oc1c(C2C(C(OC)=O)=CNC=C2C(OC)=O)cccc1OC

InChI

InChI=1S/C19H23NO6/c1-11(2)26-17-12(7-6-8-15(17)23-3)16-13(18(21)24-4)9-20-10-14(16)19(22)25-5/h6-11,16,20H,1-5H3

InChI Key

JYFCPYBKXYZZRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05857831

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.888

Distribution Coefficient, logD

2.339

Water Solubility, LogSw

-3.24

Polar Surface Area

68.061

Acid Dissociation Constant (pKa)

6.99

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

8016-6181 in Drug Discovery

Included in Screening Libraries

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8016-6181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-6181?
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What is the minimum amount of 8016-6181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-6181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-6181
  • 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 8016-6181 available by request