8640-0614 Screening compound: 8-(ethylthio)-5-(2-furyl)-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine

8640-0614 Screening compound: 8-(ethylthio)-5-(2-furyl)-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
8640-0614 Screening compound: 8-(ethylthio)-5-(2-furyl)-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0614
8-(ethylthio)-5-(2-furyl)-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine

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

8640-0614

Molecular Formula

C20H19N3O2S2 (C20 H19 N3 O2 S2)

Compound Name

8-(ethylthio)-5-(2-furyl)-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine

IUPAC name

13-(ethylsulfanyl)-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-hexaene

SMILES

CCSc1c2sc3nc(-c4ccco4)c(COC(C)(C)C4)c4c3c2ncn1

InChI

InChI=1S/C20H19N3O2S2/c1-4-26-19-17-16(21-10-22-19)14-11-8-20(2,3)25-9-12(11)15(23-18(14)27-17)13-6-5-7-24-13/h5-7,10H,4,8-9H2,1-3H3

InChI Key

DSBNRGJNQVCPRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02240116

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.287

Distribution Coefficient, logD

5.287

Water Solubility, LogSw

-5.57

Polar Surface Area

47.081

Acid Dissociation Constant (pKa)

21.12

Base Dissociation Constant (pKb)

2.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

8640-0614 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8640-0614 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0614?
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What is the minimum amount of 8640-0614 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0614
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0614
  • 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 8640-0614 available by request