8640-0613 Screening compound: N'-[5-(2-furyl)-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]-N,N-dimethylpropane-1,3-diamine

8640-0613 Screening compound: N'-[5-(2-furyl)-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]-N,N-dimethylpropane-1,3-diamine
8640-0613 Screening compound: N'-[5-(2-furyl)-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]-N,N-dimethylpropane-1,3-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0613
N'-[5-(2-furyl)-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]-N,N-dimethylpropane-1,3-diamine

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

8640-0613

Molecular Formula

C23H27N5O2S (C23 H27 N5 O2 S)

Compound Name

N'-[5-(2-furyl)-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]-N,N-dimethylpropane-1,3-diamine

IUPAC name

N-[3-(dimethylamino)propyl]-8-(furan-2-yl)-44-dimethyl-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(-c3ccco3)nc3sc4c(NCCCN(C)C)ncnc4c3c2C1

InChI

InChI=1S/C23H27N5O2S/c1-23(2)11-14-15(12-30-23)18(16-7-5-10-29-16)27-22-17(14)19-20(31-22)21(26-13-25-19)24-8-6-9-28(3)4/h5,7,10,13H,6,8-9,11-12H2,1-4H3,(H,24,25,26)

InChI Key

CPSDHJDRBSLHAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03815370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.305

Distribution Coefficient, logD

2.369

Water Solubility, LogSw

-4.43

Polar Surface Area

61.802

Acid Dissociation Constant (pKa)

19.21

Base Dissociation Constant (pKb)

9.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

8640-0613 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8640-0613 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0613?
Check Price and Availability of 8640-0613, 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 8640-0613 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0613
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0613
  • 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 8640-0613 available by request