8640-0007 Screening compound: ethyl 2-(5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)acetate

8640-0007 Screening compound: ethyl 2-(5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)acetate
8640-0007 Screening compound: ethyl 2-(5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0007
ethyl 2-(5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)acetate

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

8640-0007

Molecular Formula

C17H20N4O3S (C17 H20 N4 O3 S)

Compound Name

ethyl 2-(5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)acetate

IUPAC name

ethyl 2-{71414-trimethyl-13-oxa-10-thia-3568-tetraazatetracyclo[7.7.0.0^{26}.0^{1116}]hexadeca-1(9)24711(16)-pentaen-4-yl}acetate

SMILES

CCOC(Cc1nn2c(C)nc(sc3c4CC(C)(C)OC3)c4c2n1)=O

InChI

InChI=1S/C17H20N4O3S/c1-5-23-13(22)6-12-19-15-14-10-7-17(3,4)24-8-11(10)25-16(14)18-9(2)21(15)20-12/h5-8H2,1-4H3

InChI Key

YRCXPKWQGINZEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11851818

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.665

Distribution Coefficient, logD

2.665

Water Solubility, LogSw

-2.61

Polar Surface Area

61.155

Acid Dissociation Constant (pKa)

20.69

Base Dissociation Constant (pKb)

2.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.90

8640-0007 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

BRD4 Targeted Library (4534 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8640-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0007?
Check Price and Availability of 8640-0007, 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 8640-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0007
  • 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 8640-0007 available by request