C378-0381 Screening compound: 3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-4-(4-methylphenyl)-1H-isochromen-1-one

C378-0381 Screening compound: 3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-4-(4-methylphenyl)-1H-isochromen-1-one
C378-0381 Screening compound: 3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-4-(4-methylphenyl)-1H-isochromen-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C378-0381
3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-4-(4-methylphenyl)-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

C378-0381

Molecular Formula

C28H25ClN2O3 (C28 H25 ClN2 O3)

Compound Name

3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-4-(4-methylphenyl)-1H-isochromen-1-one

IUPAC name

3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-4-(4-methylphenyl)-1H-isochromen-1-one

SMILES

Cc(cc1)ccc1C(c1c2cccc1)=C(C(N(CC1)CCN1c1c(C)ccc(Cl)c1)=O)OC2=O

InChI

InChI=1S/C28H25ClN2O3/c1-18-7-10-20(11-8-18)25-22-5-3-4-6-23(22)28(33)34-26(25)27(32)31-15-13-30(14-16-31)24-17-21(29)12-9-19(24)2/h3-12,17H,13-16H2,1-2H3

InChI Key

MIDYNSHBJLRFII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14754687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.97

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.878

Distribution Coefficient, logD

5.878

Water Solubility, LogSw

-5.91

Polar Surface Area

40.575

Acid Dissociation Constant (pKa)

28.31

Base Dissociation Constant (pKb)

2.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

C378-0381 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C378-0381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C378-0381?
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What is the minimum amount of C378-0381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C378-0381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C378-0381
  • 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 C378-0381 available by request