5137-3648 Screening compound: 2-[(4-methoxyphenoxy)methyl]-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

5137-3648 Screening compound: 2-[(4-methoxyphenoxy)methyl]-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
5137-3648 Screening compound: 2-[(4-methoxyphenoxy)methyl]-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 5137-3648
2-[(4-methoxyphenoxy)methyl]-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

5137-3648

Molecular Formula

C20H20N4O2S (C20 H20 N4 O2 S)

Compound Name

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

IUPAC name

15-[(4-methoxyphenoxy)methyl]-9-thia-11131416-tetraazatetracyclo[8.7.0.0^{28}.0^{1317}]heptadeca-1(10)2(8)111416-pentaene

SMILES

COc(cc1)ccc1OCc1nn(cnc2c3c(CCCCC4)c4s2)c3n1

InChI

InChI=1S/C20H20N4O2S/c1-25-13-7-9-14(10-8-13)26-11-17-22-19-18-15-5-3-2-4-6-16(15)27-20(18)21-12-24(19)23-17/h7-10,12H,2-6,11H2,1H3

InChI Key

MJCDJTOIBCVTFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03694377

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.107

Distribution Coefficient, logD

4.106

Water Solubility, LogSw

-4.41

Polar Surface Area

49.940

Acid Dissociation Constant (pKa)

25.67

Base Dissociation Constant (pKb)

5.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

5137-3648 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5137-3648 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5137-3648?
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What is the minimum amount of 5137-3648 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5137-3648
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5137-3648
  • 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 5137-3648 available by request