5504-0176 Screening compound: METHYL 5-{[(5-MORPHOLINO-1,2,3,4-TETRAHYDROPYRIMIDO[4',5':4,5]THIENO[2,3-C]ISOQUINOLIN-8-YL)SULFANYL]METHYL}-2-FUROATE

5504-0176 Screening compound: METHYL 5-{[(5-MORPHOLINO-1,2,3,4-TETRAHYDROPYRIMIDO[4',5':4,5]THIENO[2,3-C]ISOQUINOLIN-8-YL)SULFANYL]METHYL}-2-FUROATE
5504-0176 Screening compound: METHYL 5-{[(5-MORPHOLINO-1,2,3,4-TETRAHYDROPYRIMIDO[4',5':4,5]THIENO[2,3-C]ISOQUINOLIN-8-YL)SULFANYL]METHYL}-2-FUROATE alternative view

Chemical Structure Depiction of ChemDiv screening compound 5504-0176
METHYL 5-{[(5-MORPHOLINO-1,2,3,4-TETRAHYDROPYRIMIDO[4',5':4,5]THIENO[2,3-C]ISOQUINOLIN-8-YL)SULFANYL]METHYL}-2-FUROATE

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

5504-0176

Molecular Formula

C24H24N4O4S2 (C24 H24 N4 O4 S2)

Compound Name

METHYL 5-{[(5-MORPHOLINO-1,2,3,4-TETRAHYDROPYRIMIDO[4',5':4,5]THIENO[2,3-C]ISOQUINOLIN-8-YL)SULFANYL]METHYL}-2-FUROATE

IUPAC name

n/a

SMILES

COC(c1ccc(CSc2c3sc4nc(N5CCOCC5)c(CCCC5)c5c4c3ncn2)o1)=O

InChI

InChI=1S/C24H24N4O4S2/c1-30-24(29)17-7-6-14(32-17)12-33-23-20-19(25-13-26-23)18-15-4-2-3-5-16(15)21(27-22(18)34-20)28-8-10-31-11-9-28/h6-7,13H,2-5,8-12H2,1H3

InChI Key

IXAHJHDNGJWSMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02995954

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.502

Distribution Coefficient, logD

5.502

Water Solubility, LogSw

-5.57

Polar Surface Area

70.344

Acid Dissociation Constant (pKa)

21.57

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.00

5504-0176 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Angiogenesis library (14822 compounds)

GPCR Targeted Library (31838 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • 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 5504-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5504-0176?
Check Price and Availability of 5504-0176, 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 5504-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5504-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5504-0176
  • 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 5504-0176 available by request