C768-1336 Screening compound: 1-[7-(3,4-DIMETHYLBENZOYL)-2H-[1,3]DIOXOLO[4,5-G]QUINOLIN-8-YL]-4-ETHYLPIPERAZINE

C768-1336 Screening compound: 1-[7-(3,4-DIMETHYLBENZOYL)-2H-[1,3]DIOXOLO[4,5-G]QUINOLIN-8-YL]-4-ETHYLPIPERAZINE
C768-1336 Screening compound: 1-[7-(3,4-DIMETHYLBENZOYL)-2H-[1,3]DIOXOLO[4,5-G]QUINOLIN-8-YL]-4-ETHYLPIPERAZINE alternative view

Chemical Structure Depiction of ChemDiv screening compound C768-1336
1-[7-(3,4-DIMETHYLBENZOYL)-2H-[1,3]DIOXOLO[4,5-G]QUINOLIN-8-YL]-4-ETHYLPIPERAZINE

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

C768-1336

Molecular Formula

C25H27N3O3 (C25 H27 N3 O3)

Compound Name

1-[7-(3,4-DIMETHYLBENZOYL)-2H-[1,3]DIOXOLO[4,5-G]QUINOLIN-8-YL]-4-ETHYLPIPERAZINE

IUPAC name

n/a

SMILES

CCN(CC1)CCN1c(c(c(nc1)c2)cc3c2OCO3)c1C(c1cc(C)c(C)cc1)=O

InChI

InChI=1S/C25H27N3O3/c1-4-27-7-9-28(10-8-27)24-19-12-22-23(31-15-30-22)13-21(19)26-14-20(24)25(29)18-6-5-16(2)17(3)11-18/h5-6,11-14H,4,7-10,15H2,1-3H3

InChI Key

PHISGVWONKNVQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14792709

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.699

Distribution Coefficient, logD

4.011

Water Solubility, LogSw

-4.28

Polar Surface Area

46.061

Acid Dissociation Constant (pKa)

26.11

Base Dissociation Constant (pKb)

7.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

C768-1336 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Antibacterial Compounds Library (13827 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C768-1336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C768-1336?
Check Price and Availability of C768-1336, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C768-1336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C768-1336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C768-1336
  • 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 C768-1336 available by request