C798-0288 Screening compound: 6-methyl-4-{4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-4-oxobutyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

C798-0288 Screening compound: 6-methyl-4-{4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-4-oxobutyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one
C798-0288 Screening compound: 6-methyl-4-{4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-4-oxobutyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C798-0288
6-methyl-4-{4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-4-oxobutyl}-3,4-dihydro-2H-1,4-benzoxazin-3-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

C798-0288

Molecular Formula

C25H31N3O3 (C25 H31 N3 O3)

Compound Name

6-methyl-4-{4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-4-oxobutyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

6-methyl-4-{4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-4-oxobutyl}-34-dihydro-2H-14-benzoxazin-3-one

SMILES

CC(CN(CC1)C(CCCN2c(cc(C)cc3)c3OCC2=O)=O)N1c1cc(C)ccc1

InChI

InChI=1S/C25H31N3O3/c1-18-6-4-7-21(14-18)27-13-12-26(16-20(27)3)24(29)8-5-11-28-22-15-19(2)9-10-23(22)31-17-25(28)30/h4,6-7,9-10,14-15,20H,5,8,11-13,16-17H2,1-3H3/t20-/m0/s1

InChI Key

RSMWCLVNUCSYGO-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14798960

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.228

Distribution Coefficient, logD

3.228

Water Solubility, LogSw

-3.38

Polar Surface Area

42.918

Acid Dissociation Constant (pKa)

21.08

Base Dissociation Constant (pKb)

7.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

References: we are preparing a list of scientific research reports with C798-0288 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C798-0288?
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What is the minimum amount of C798-0288 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C798-0288
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C798-0288
  • 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 C798-0288 available by request