4072-2774 Screening compound: 2-(2-methoxyphenyl)-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

4072-2774 Screening compound: 2-(2-methoxyphenyl)-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
4072-2774 Screening compound: 2-(2-methoxyphenyl)-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4072-2774
2-(2-methoxyphenyl)-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[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

4072-2774

Molecular Formula

C19H18N4OS (C19 H18 N4 OS)

Compound Name

2-(2-methoxyphenyl)-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

IUPAC name

15-(2-methoxyphenyl)-9-thia-11131416-tetraazatetracyclo[8.7.0.0^{28}.0^{1317}]heptadeca-1(10)2(8)111416-pentaene

SMILES

COc(cccc1)c1-c1nn(cnc2c3c(CCCCC4)c4s2)c3n1

InChI

InChI=1S/C19H18N4OS/c1-24-14-9-6-5-7-12(14)17-21-18-16-13-8-3-2-4-10-15(13)25-19(16)20-11-23(18)22-17/h5-7,9,11H,2-4,8,10H2,1H3

InChI Key

QITBLFABDKEJLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02990692

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.193

Distribution Coefficient, logD

4.192

Water Solubility, LogSw

-4.63

Polar Surface Area

41.537

Acid Dissociation Constant (pKa)

25.67

Base Dissociation Constant (pKb)

4.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

4072-2774 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4072-2774 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4072-2774?
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What is the minimum amount of 4072-2774 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4072-2774
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4072-2774
  • 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 4072-2774 available by request