8640-0307 Screening compound: N-[2-(dimethylamino)ethyl]-N-[6-ethyl-6-methyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]amine

8640-0307 Screening compound: N-[2-(dimethylamino)ethyl]-N-[6-ethyl-6-methyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]amine
8640-0307 Screening compound: N-[2-(dimethylamino)ethyl]-N-[6-ethyl-6-methyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0307
N-[2-(dimethylamino)ethyl]-N-[6-ethyl-6-methyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-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)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8640-0307

Molecular Formula

C17H26N4OS2 (C17 H26 N4 OS2)

Compound Name

N-[2-(dimethylamino)ethyl]-N-[6-ethyl-6-methyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]amine

IUPAC name

N-[2-(dimethylamino)ethyl]-12-ethyl-12-methyl-5-(methylsulfanyl)-11-oxa-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-3-amine

SMILES

CCC(C)(C1)OCc(sc2n3)c1c2c(NCCN(C)C)nc3SC

InChI

InChI=1S/C17H26N4OS2/c1-6-17(2)9-11-12(10-22-17)24-15-13(11)14(18-7-8-21(3)4)19-16(20-15)23-5/h6-10H2,1-5H3,(H,18,19,20)/t17-/m0/s1

InChI Key

XWAXCWGQTKUVOV-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD04185607

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.279

Distribution Coefficient, logD

2.650

Water Solubility, LogSw

-4.32

Polar Surface Area

41.301

Acid Dissociation Constant (pKa)

15.74

Base Dissociation Constant (pKb)

9.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

64.70

8640-0307 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Others
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8640-0307 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0307?
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What is the minimum amount of 8640-0307 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0307
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0307
  • 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 8640-0307 available by request