4149-0342 Screening compound: N-[2-(dimethylamino)ethyl]-N-(2,2-dimethyl-5-morpholino-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)amine

Chemical Structure Depiction of ChemDiv screening compound 4149-0342
N-[2-(dimethylamino)ethyl]-N-(2,2-dimethyl-5-morpholino-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)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

4149-0342

Molecular Formula

C₂₂H₃₀N₆O₂S (C22 H30 N6 O2 S)

Compound Name

N-[2-(dimethylamino)ethyl]-N-(2,2-dimethyl-5-morpholino-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)amine

IUPAC name

N-[2-(dimethylamino)ethyl]-44-dimethyl-8-(morpholin-4-yl)-5-oxa-11-thia-91416-triazatetracyclo[8.7.0.0^{27}.0^{1217}]heptadeca-1(10)2(7)812(17)1315-hexaen-13-amine

SMILES

CC1(C)OCc2c(N3CCOCC3)nc3sc4c(NCCN(C)C)ncnc4c3c2C1

InChI

InChI=1S/C22H30N6O2S/c1-22(2)11-14-15(12-30-22)20(28-7-9-29-10-8-28)26-21-16(14)17-18(31-21)19(25-13-24-17)23-5-6-27(3)4/h13H,5-12H2,1-4H3,(H,23,24,25)

InChI Key

BOFYKUOKUBGXQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01943699

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

3.769

Distribution Coefficient, logD

2.080

Water Solubility, LogSw

-4.22

Polar Surface Area

64.019

Acid Dissociation Constant (pK_a)

17.49

Base Dissociation Constant (pK_b)

9.08

Number of Chiral Centers

0.00

Percent sp³ carbon bonding

59.10

4149-0342 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

C-Met Library (15277 compounds)

Human GPCR Annotated Library (5539 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

Antiviral
Infections
Immune system
Cancer
Digestive system
Respiratory tract
Otorhinolaryngologic
Endocrine
Cancer
Musculoskeletal
Digestive system
Respiratory tract
Male
Female
Hemic and lymphatic
Metabolic
Digestive system
Respiratory tract
Male
Female
Hemic and lymphatic
Skin

Targets:

Kinases
Others
Kinases

Mechanism of action:

Receptor's ligands
Epigenetic

References: we are preparing a list of scientific research reports with 4149-0342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4149-0342?
Check Price and Availability of 4149-0342, 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 4149-0342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for 4149-0342
ChemDiv sends parcels with Express services (UPS, WC).

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

Delivery formats for 4149-0342

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 4149-0342 available by request