C378-0367 Screening compound: 4-(4-methylphenyl)-3-(2-methylpiperidine-1-carbonyl)-1H-isochromen-1-one

C378-0367 Screening compound: 4-(4-methylphenyl)-3-(2-methylpiperidine-1-carbonyl)-1H-isochromen-1-one
C378-0367 Screening compound: 4-(4-methylphenyl)-3-(2-methylpiperidine-1-carbonyl)-1H-isochromen-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C378-0367
4-(4-methylphenyl)-3-(2-methylpiperidine-1-carbonyl)-1H-isochromen-1-one

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

C378-0367

Molecular Formula

C23H23NO3 (C23 H23 NO3)

Compound Name

4-(4-methylphenyl)-3-(2-methylpiperidine-1-carbonyl)-1H-isochromen-1-one

IUPAC name

4-(4-methylphenyl)-3-(2-methylpiperidine-1-carbonyl)-1H-isochromen-1-one

SMILES

CC(CCCC1)N1C(C(O1)=C(c2ccc(C)cc2)c(cccc2)c2C1=O)=O

InChI

InChI=1S/C23H23NO3/c1-15-10-12-17(13-11-15)20-18-8-3-4-9-19(18)23(26)27-21(20)22(25)24-14-6-5-7-16(24)2/h3-4,8-13,16H,5-7,14H2,1-2H3/t16-/m0/s1

InChI Key

MZAAFXURVGDOOF-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14754683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.216

Distribution Coefficient, logD

4.216

Water Solubility, LogSw

-4.34

Polar Surface Area

36.901

Acid Dissociation Constant (pKa)

26.26

Base Dissociation Constant (pKb)

0.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

C378-0367 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with C378-0367 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C378-0367?
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What is the minimum amount of C378-0367 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C378-0367
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C378-0367
  • 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 C378-0367 available by request