8640-0004 Screening compound: 3-ethyl-11,11-dimethyl-11,12-dihydro-2H,9H-pyrano[4'',3'':4',5']thieno[2',3':4,5]pyrimido[1,6-b][1,2,4]triazin-2-one

8640-0004 Screening compound: 3-ethyl-11,11-dimethyl-11,12-dihydro-2H,9H-pyrano[4'',3'':4',5']thieno[2',3':4,5]pyrimido[1,6-b][1,2,4]triazin-2-one
8640-0004 Screening compound: 3-ethyl-11,11-dimethyl-11,12-dihydro-2H,9H-pyrano[4'',3'':4',5']thieno[2',3':4,5]pyrimido[1,6-b][1,2,4]triazin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0004
3-ethyl-11,11-dimethyl-11,12-dihydro-2H,9H-pyrano[4'',3'':4',5']thieno[2',3':4,5]pyrimido[1,6-b][1,2,4]triazin-2-one

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

8640-0004

Molecular Formula

C15H16N4O2S (C15 H16 N4 O2 S)

Compound Name

3-ethyl-11,11-dimethyl-11,12-dihydro-2H,9H-pyrano[4'',3'':4',5']thieno[2',3':4,5]pyrimido[1,6-b][1,2,4]triazin-2-one

IUPAC name

5-ethyl-1515-dimethyl-14-oxa-11-thia-3679-tetraazatetracyclo[8.7.0.0^{27}.0^{1217}]heptadeca-1(10)25812(17)-pentaen-4-one

SMILES

CCC1=NN(C=Nc2c3c(CC(C)(C)OC4)c4s2)C3=NC1=O

InChI

InChI=1S/C15H16N4O2S/c1-4-9-13(20)17-12-11-8-5-15(2,3)21-6-10(8)22-14(11)16-7-19(12)18-9/h7H,4-6H2,1-3H3

InChI Key

CTQWFAQZOZVWMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14713521

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.294

Distribution Coefficient, logD

-0.567

Water Solubility, LogSw

-2.02

Polar Surface Area

54.778

Acid Dissociation Constant (pKa)

26.18

Base Dissociation Constant (pKb)

10.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

8640-0004 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Others
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8640-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0004?
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What is the minimum amount of 8640-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0004
  • 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 8640-0004 available by request