2730-0655 Screening compound: 2-[(2-isopropyl-5-methylphenoxy)methyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

2730-0655 Screening compound: 2-[(2-isopropyl-5-methylphenoxy)methyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
2730-0655 Screening compound: 2-[(2-isopropyl-5-methylphenoxy)methyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 2730-0655
2-[(2-isopropyl-5-methylphenoxy)methyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]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

2730-0655

Molecular Formula

C22H24N4OS (C22 H24 N4 OS)

Compound Name

2-[(2-isopropyl-5-methylphenoxy)methyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

IUPAC name

4-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-10-thia-3568-tetraazatetracyclo[7.7.0.0^{26}.0^{1116}]hexadeca-1(9)24711(16)-pentaene

SMILES

CC(C)c(ccc(C)c1)c1OCc1nn(cnc2c3c(CCCC4)c4s2)c3n1

InChI

InChI=1S/C22H24N4OS/c1-13(2)15-9-8-14(3)10-17(15)27-11-19-24-21-20-16-6-4-5-7-18(16)28-22(20)23-12-26(21)25-19/h8-10,12-13H,4-7,11H2,1-3H3

InChI Key

DDQAEJNSDQDOQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01816173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.411

Distribution Coefficient, logD

5.410

Water Solubility, LogSw

-5.45

Polar Surface Area

42.152

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

4.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

2730-0655 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 2730-0655 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2730-0655?
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What is the minimum amount of 2730-0655 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2730-0655
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2730-0655
  • 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 2730-0655 available by request