5137-3638 Screening compound: 2-(3-methylphenyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

5137-3638 Screening compound: 2-(3-methylphenyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
5137-3638 Screening compound: 2-(3-methylphenyl)-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 5137-3638
2-(3-methylphenyl)-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

5137-3638

Molecular Formula

C18H16N4S (C18 H16 N4 S)

Compound Name

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

IUPAC name

4-(3-methylphenyl)-10-thia-3568-tetraazatetracyclo[7.7.0.0^{26}.0^{1116}]hexadeca-1(9)24711(16)-pentaene

SMILES

Cc1cccc(-c2nn(cnc3c4c(CCCC5)c5s3)c4n2)c1

InChI

InChI=1S/C18H16N4S/c1-11-5-4-6-12(9-11)16-20-17-15-13-7-2-3-8-14(13)23-18(15)19-10-22(17)21-16/h4-6,9-10H,2-3,7-8H2,1H3

InChI Key

IJOUXPOPSBQABB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03682899

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.468

Distribution Coefficient, logD

4.467

Water Solubility, LogSw

-4.59

Polar Surface Area

33.576

Acid Dissociation Constant (pKa)

25.44

Base Dissociation Constant (pKb)

4.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

5137-3638 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5137-3638 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5137-3638?
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What is the minimum amount of 5137-3638 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5137-3638
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5137-3638
  • 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 5137-3638 available by request