C768-1395 Screening compound: 1-{8-benzoyl-2H,3H-[1,4]dioxino[2,3-g]quinolin-9-yl}-4-benzylpiperazine

C768-1395 Screening compound: 1-{8-benzoyl-2H,3H-[1,4]dioxino[2,3-g]quinolin-9-yl}-4-benzylpiperazine
C768-1395 Screening compound: 1-{8-benzoyl-2H,3H-[1,4]dioxino[2,3-g]quinolin-9-yl}-4-benzylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C768-1395
1-{8-benzoyl-2H,3H-[1,4]dioxino[2,3-g]quinolin-9-yl}-4-benzylpiperazine

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

C768-1395

Molecular Formula

C29H27N3O3 (C29 H27 N3 O3)

Compound Name

1-{8-benzoyl-2H,3H-[1,4]dioxino[2,3-g]quinolin-9-yl}-4-benzylpiperazine

IUPAC name

1-{8-benzoyl-2H3H-[14]dioxino[23-g]quinolin-9-yl}-4-benzylpiperazine

SMILES

O=C(c1ccccc1)c(cnc(c1c2)cc3c2OCCO3)c1N1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C29H27N3O3/c33-29(22-9-5-2-6-10-22)24-19-30-25-18-27-26(34-15-16-35-27)17-23(25)28(24)32-13-11-31(12-14-32)20-21-7-3-1-4-8-21/h1-10,17-19H,11-16,20H2

InChI Key

LFKLWERRNLCGDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06403086

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.634

Distribution Coefficient, logD

3.527

Water Solubility, LogSw

-3.78

Polar Surface Area

44.772

Acid Dissociation Constant (pKa)

25.81

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

C768-1395 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C768-1395 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C768-1395?
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What is the minimum amount of C768-1395 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C768-1395
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C768-1395
  • 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 C768-1395 available by request