C336-0194 Screening compound: 5-{[2-OXO-2-(4-PHENYLPIPERAZINO)ETHYL]SULFANYL}-3-[3-OXO-3-(4-PHENYLPIPERAZINO)PROPYL]IMIDAZO[1,2-C]QUINAZOLIN-2(3H)-ONE

C336-0194 Screening compound: 5-{[2-OXO-2-(4-PHENYLPIPERAZINO)ETHYL]SULFANYL}-3-[3-OXO-3-(4-PHENYLPIPERAZINO)PROPYL]IMIDAZO[1,2-C]QUINAZOLIN-2(3H)-ONE
C336-0194 Screening compound: 5-{[2-OXO-2-(4-PHENYLPIPERAZINO)ETHYL]SULFANYL}-3-[3-OXO-3-(4-PHENYLPIPERAZINO)PROPYL]IMIDAZO[1,2-C]QUINAZOLIN-2(3H)-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound C336-0194
5-{[2-OXO-2-(4-PHENYLPIPERAZINO)ETHYL]SULFANYL}-3-[3-OXO-3-(4-PHENYLPIPERAZINO)PROPYL]IMIDAZO[1,2-C]QUINAZOLIN-2(3H)-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

C336-0194

Molecular Formula

C35H37N7O3S (C35 H37 N7 O3 S)

Compound Name

5-{[2-OXO-2-(4-PHENYLPIPERAZINO)ETHYL]SULFANYL}-3-[3-OXO-3-(4-PHENYLPIPERAZINO)PROPYL]IMIDAZO[1,2-C]QUINAZOLIN-2(3H)-ONE

IUPAC name

n/a

SMILES

O=C(CCC1N2C(SCC(N(CC3)CCN3c3ccccc3)=O)=Nc(cccc3)c3C2=NC1=O)N(CC1)CCN1c1ccccc1

InChI

InChI=1S/C35H37N7O3S/c43-31(40-21-17-38(18-22-40)26-9-3-1-4-10-26)16-15-30-34(45)37-33-28-13-7-8-14-29(28)36-35(42(30)33)46-25-32(44)41-23-19-39(20-24-41)27-11-5-2-6-12-27/h1-14,30H,15-25H2/t30-/m0/s1

InChI Key

JNUOCGWJUJXTMS-PMERELPUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

635.79

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.085

Distribution Coefficient, logD

3.084

Water Solubility, LogSw

-3.70

Polar Surface Area

74.457

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.30

C336-0194 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C336-0194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C336-0194?
Check Price and Availability of C336-0194, 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 C336-0194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C336-0194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C336-0194
  • 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 C336-0194 available by request