8640-0219 Screening compound: 12-ethyl-12-methyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]di[1,2,4]triazolo[4,3-a:1,5-c]pyrimidin-7-yl (2-methylallyl) sulfide

8640-0219 Screening compound: 12-ethyl-12-methyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]di[1,2,4]triazolo[4,3-a:1,5-c]pyrimidin-7-yl (2-methylallyl) sulfide
8640-0219 Screening compound: 12-ethyl-12-methyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]di[1,2,4]triazolo[4,3-a:1,5-c]pyrimidin-7-yl (2-methylallyl) sulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0219
12-ethyl-12-methyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]di[1,2,4]triazolo[4,3-a:1,5-c]pyrimidin-7-yl (2-methylallyl) sulfide

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

8640-0219

Molecular Formula

C18H20N6OS2 (C18 H20 N6 OS2)

Compound Name

12-ethyl-12-methyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]di[1,2,4]triazolo[4,3-a:1,5-c]pyrimidin-7-yl (2-methylallyl) sulfide

IUPAC name

15-ethyl-15-methyl-3-[(2-methylprop-2-en-1-yl)sulfanyl]-16-oxa-19-thia-2457810-hexaazapentacyclo[10.7.0.0^{26}.0^{711}.0^{1318}]nonadeca-1(12)3581013(18)-hexaene

SMILES

CCC(C)(C1)OCc2c1c(c1ncnn1c(n13)nnc1SCC(C)=C)c3s2

InChI

InChI=1S/C18H20N6OS2/c1-5-18(4)6-11-12(7-25-18)27-15-13(11)14-19-9-20-24(14)16-21-22-17(23(15)16)26-8-10(2)3/h9H,2,5-8H2,1,3-4H3/t18-/m0/s1

InChI Key

JBXGVFIFPXZRQQ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD05683643

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.041

Distribution Coefficient, logD

4.031

Water Solubility, LogSw

-4.22

Polar Surface Area

54.125

Acid Dissociation Constant (pKa)

26.40

Base Dissociation Constant (pKb)

5.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

8640-0219 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8640-0219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0219?
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What is the minimum amount of 8640-0219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0219
  • 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 8640-0219 available by request