4781-0083 Screening compound: 1-(4-METHYLPHENYL)-3-(4-METHYLPIPERAZINE-1-CARBONYL)-1,2,5,6,7,8-HEXAHYDROQUINOLINE-2,5-DIONE

4781-0083 Screening compound: 1-(4-METHYLPHENYL)-3-(4-METHYLPIPERAZINE-1-CARBONYL)-1,2,5,6,7,8-HEXAHYDROQUINOLINE-2,5-DIONE
4781-0083 Screening compound: 1-(4-METHYLPHENYL)-3-(4-METHYLPIPERAZINE-1-CARBONYL)-1,2,5,6,7,8-HEXAHYDROQUINOLINE-2,5-DIONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 4781-0083
1-(4-METHYLPHENYL)-3-(4-METHYLPIPERAZINE-1-CARBONYL)-1,2,5,6,7,8-HEXAHYDROQUINOLINE-2,5-DIONE

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

4781-0083

Molecular Formula

C22H25N3O3 (C22 H25 N3 O3)

Compound Name

1-(4-METHYLPHENYL)-3-(4-METHYLPIPERAZINE-1-CARBONYL)-1,2,5,6,7,8-HEXAHYDROQUINOLINE-2,5-DIONE

IUPAC name

1-(4-methylphenyl)-3-(4-methylpiperazine-1-carbonyl)-125678-hexahydroquinoline-25-dione

SMILES

Cc(cc1)ccc1N(C(CCC1)=C(C=C2C(N3CCN(C)CC3)=O)C1=O)C2=O

InChI

InChI=1S/C22H25N3O3/c1-15-6-8-16(9-7-15)25-19-4-3-5-20(26)17(19)14-18(22(25)28)21(27)24-12-10-23(2)11-13-24/h6-9,14H,3-5,10-13H2,1-2H3

InChI Key

JYMRBXRFHUGJBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02905337

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.340

Distribution Coefficient, logD

1.172

Water Solubility, LogSw

-1.98

Polar Surface Area

48.705

Acid Dissociation Constant (pKa)

21.27

Base Dissociation Constant (pKb)

7.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with 4781-0083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4781-0083?
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What is the minimum amount of 4781-0083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4781-0083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4781-0083
  • 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 4781-0083 available by request