5137-3641 Screening compound: 2,3-dimethylphenyl (8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-ylmethyl) ether

5137-3641 Screening compound: 2,3-dimethylphenyl (8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-ylmethyl) ether
5137-3641 Screening compound: 2,3-dimethylphenyl (8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-ylmethyl) ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 5137-3641
2,3-dimethylphenyl (8,9,10,11-tetrahydro[1]benzothieno[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

5137-3641

Molecular Formula

C20H20N4OS (C20 H20 N4 OS)

Compound Name

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

IUPAC name

4-[(23-dimethylphenoxy)methyl]-10-thia-3568-tetraazatetracyclo[7.7.0.0^{26}.0^{1116}]hexadeca-1(9)24711(16)-pentaene

SMILES

Cc1cccc(OCc2nn(cnc3c4c(CCCC5)c5s3)c4n2)c1C

InChI

InChI=1S/C20H20N4OS/c1-12-6-5-8-15(13(12)2)25-10-17-22-19-18-14-7-3-4-9-16(14)26-20(18)21-11-24(19)23-17/h5-6,8,11H,3-4,7,9-10H2,1-2H3

InChI Key

OELRGCVHRLKYHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03689832

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.47

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

4.507

Distribution Coefficient, logD

4.507

Water Solubility, LogSw

-4.63

Polar Surface Area

42.152

Acid Dissociation Constant (pKa)

25.44

Base Dissociation Constant (pKb)

4.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

5137-3641 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5137-3641 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5137-3641?
Check Price and Availability of 5137-3641, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5137-3641 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5137-3641
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5137-3641
  • 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 5137-3641 available by request