8017-0498 Screening compound: N-(2,2-dimethyl-5-morpholino-1,4-dihydro-2H-thiopyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-8-yl)-N-(2-furylmethyl)amine

Chemical Structure Depiction of ChemDiv screening compound 8017-0498
N-(2,2-dimethyl-5-morpholino-1,4-dihydro-2H-thiopyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-8-yl)-N-(2-furylmethyl)amine

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)

Check Price and Availability

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8017-0498

Molecular Formula

C₂₂H₂₄N₆O₂S₂ (C22 H24 N6 O2 S2)

Compound Name

N-(2,2-dimethyl-5-morpholino-1,4-dihydro-2H-thiopyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-8-yl)-N-(2-furylmethyl)amine

IUPAC name

N-[(furan-2-yl)methyl]-44-dimethyl-8-(morpholin-4-yl)-511-dithia-9141516-tetraazatetracyclo[8.7.0.0^{27}.0^{1217}]heptadeca-1(10)2(7)812(17)1315-hexaen-13-amine

SMILES

CC(C)(C1)SCc(c(N2CCOCC2)n2)c1c1c2sc2c(NCc3ccco3)nnnc12

InChI

InChI=1S/C22H24N6O2S2/c1-22(2)10-14-15(12-31-22)20(28-5-8-29-9-6-28)24-21-16(14)17-18(32-21)19(26-27-25-17)23-11-13-4-3-7-30-13/h3-4,7H,5-6,8-12H2,1-2H3,(H,23,25,26)

InChI Key

AMQHKHNFHSKNBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03287231

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

4.639

Distribution Coefficient, logD

4.639

Water Solubility, LogSw

-4.56

Polar Surface Area

75.167

Acid Dissociation Constant (pK_a)

16.10

Base Dissociation Constant (pK_b)

4.16

Number of Chiral Centers

0.00

Percent sp³ carbon bonding

45.50

8017-0498 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-infective Library (19449 compounds)

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

C-Met Library (15277 compounds)

GPCR Targeted Library (31838 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

Cancer
Infections
Immune system
animal
Cancer
Digestive system
Respiratory tract
Otorhinolaryngologic
Endocrine
Musculoskeletal
Respiratory tract
Nervous system
Congenital
Skin
Metabolic
Endocrine

Targets:

Kinases
GPCR

Mechanism of action:

Receptor's ligands
Receptor's ligands

References: we are preparing a list of scientific research reports with 8017-0498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-0498?
Check Price and Availability of 8017-0498, 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 8017-0498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for 8017-0498
ChemDiv sends parcels with Express services (UPS, WC).

1–2 days for small orders
2–4 weeks for large selections

Delivery formats for 8017-0498

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 8017-0498 available by request