5137-3647 Screening compound: 2,3-dimethylphenyl (9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-ylmethyl) ether

5137-3647 Screening compound: 2,3-dimethylphenyl (9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-ylmethyl) ether
5137-3647 Screening compound: 2,3-dimethylphenyl (9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-ylmethyl) ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 5137-3647
2,3-dimethylphenyl (9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-ylmethyl) ether

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

5137-3647

Molecular Formula

C21H22N4OS (C21 H22 N4 OS)

Compound Name

2,3-dimethylphenyl (9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-ylmethyl) ether

IUPAC name

15-[(23-dimethylphenoxy)methyl]-9-thia-11131416-tetraazatetracyclo[8.7.0.0^{28}.0^{1317}]heptadeca-1(10)2(8)111416-pentaene

SMILES

Cc1cccc(OCc2nn(cnc3c4c(CCCCC5)c5s3)c4n2)c1C

InChI

InChI=1S/C21H22N4OS/c1-13-7-6-9-16(14(13)2)26-11-18-23-20-19-15-8-4-3-5-10-17(15)27-21(19)22-12-25(20)24-18/h6-7,9,12H,3-5,8,10-11H2,1-2H3

InChI Key

QFNJISORJGOOHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03689185

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.003

Distribution Coefficient, logD

5.001

Water Solubility, LogSw

-4.71

Polar Surface Area

42.483

Acid Dissociation Constant (pKa)

25.67

Base Dissociation Constant (pKb)

5.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

5137-3647 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5137-3647 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5137-3647?
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What is the minimum amount of 5137-3647 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5137-3647
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5137-3647
  • 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 5137-3647 available by request