C768-1666 Screening compound: 3-(4-ethoxybenzoyl)-6-methoxy-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline

C768-1666 Screening compound: 3-(4-ethoxybenzoyl)-6-methoxy-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline
C768-1666 Screening compound: 3-(4-ethoxybenzoyl)-6-methoxy-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound C768-1666
3-(4-ethoxybenzoyl)-6-methoxy-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline

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

C768-1666

Molecular Formula

C30H31N3O4 (C30 H31 N3 O4)

Compound Name

3-(4-ethoxybenzoyl)-6-methoxy-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline

IUPAC name

3-(4-ethoxybenzoyl)-6-methoxy-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline

SMILES

CCOc(cc1)ccc1C(c(cnc(c1c2)ccc2OC)c1N(CC1)CCN1c(cc1)ccc1OC)=O

InChI

InChI=1S/C30H31N3O4/c1-4-37-24-9-5-21(6-10-24)30(34)27-20-31-28-14-13-25(36-3)19-26(28)29(27)33-17-15-32(16-18-33)22-7-11-23(35-2)12-8-22/h5-14,19-20H,4,15-18H2,1-3H3

InChI Key

RNNWVSKCBPRUNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06404712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.856

Distribution Coefficient, logD

5.854

Water Solubility, LogSw

-5.54

Polar Surface Area

50.880

Acid Dissociation Constant (pKa)

25.91

Base Dissociation Constant (pKb)

5.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

C768-1666 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C768-1666 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C768-1666?
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What is the minimum amount of C768-1666 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C768-1666
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C768-1666
  • 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 C768-1666 available by request