C746-0598 Screening compound: 4-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-5-one

C746-0598 Screening compound: 4-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-5-one
C746-0598 Screening compound: 4-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C746-0598
4-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-5-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

C746-0598

Molecular Formula

C26H27N3O2S2 (C26 H27 N3 O2 S2)

Compound Name

4-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-5-one

IUPAC name

4-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)-1-sulfanylidene-1H4H5H-[13]thiazolo[34-a]quinazolin-5-one

SMILES

CCC(CCCC1)N1C(CN(C(N1c2c3cccc2)=C(c2ccc(C)cc2)SC1=S)C3=O)=O

InChI

InChI=1S/C26H27N3O2S2/c1-3-19-8-6-7-15-27(19)22(30)16-28-24-23(18-13-11-17(2)12-14-18)33-26(32)29(24)21-10-5-4-9-20(21)25(28)31/h4-5,9-14,19H,3,6-8,15-16H2,1-2H3/t19-/m0/s1

InChI Key

YCLNETQGMFEVEH-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14791246

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.65

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.118

Distribution Coefficient, logD

5.118

Water Solubility, LogSw

-4.87

Polar Surface Area

33.827

Acid Dissociation Constant (pKa)

26.26

Base Dissociation Constant (pKb)

5.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

C746-0598 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C746-0598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C746-0598?
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What is the minimum amount of C746-0598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C746-0598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C746-0598
  • 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 C746-0598 available by request