C066-1286 Screening compound: 6-[(4-methylpiperidin-1-yl)sulfonyl]-3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-3,4-dihydroquinazolin-4-one

C066-1286 Screening compound: 6-[(4-methylpiperidin-1-yl)sulfonyl]-3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-3,4-dihydroquinazolin-4-one
C066-1286 Screening compound: 6-[(4-methylpiperidin-1-yl)sulfonyl]-3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-1286
6-[(4-methylpiperidin-1-yl)sulfonyl]-3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-3,4-dihydroquinazolin-4-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

C066-1286

Molecular Formula

C23H33N5O4S (C23 H33 N5 O4 S)

Compound Name

6-[(4-methylpiperidin-1-yl)sulfonyl]-3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-3,4-dihydroquinazolin-4-one

IUPAC name

6-[(4-methylpiperidin-1-yl)sulfonyl]-3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-34-dihydroquinazolin-4-one

SMILES

CCCN(CC1)CCN1C(CN(C=Nc(cc1)c2cc1S(N1CCC(C)CC1)(=O)=O)C2=O)=O

InChI

InChI=1S/C23H33N5O4S/c1-3-8-25-11-13-26(14-12-25)22(29)16-27-17-24-21-5-4-19(15-20(21)23(27)30)33(31,32)28-9-6-18(2)7-10-28/h4-5,15,17-18H,3,6-14,16H2,1-2H3

InChI Key

RLERPUOOCLTOEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05031179

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.61

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.334

Distribution Coefficient, logD

1.151

Water Solubility, LogSw

-2.59

Polar Surface Area

78.233

Acid Dissociation Constant (pKa)

26.32

Base Dissociation Constant (pKb)

7.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.90

C066-1286 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C066-1286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-1286?
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What is the minimum amount of C066-1286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-1286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-1286
  • 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 C066-1286 available by request