8016-2467 Screening compound: methyl 2-[(5-phenyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetate

8016-2467 Screening compound: methyl 2-[(5-phenyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetate
8016-2467 Screening compound: methyl 2-[(5-phenyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-2467
methyl 2-[(5-phenyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetate

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

8016-2467

Molecular Formula

C20H18N4O2S2 (C20 H18 N4 O2 S2)

Compound Name

methyl 2-[(5-phenyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetate

IUPAC name

methyl 2-({7-phenyl-10-thia-3468-tetraazatetracyclo[7.7.0.0^{26}.0^{1116}]hexadeca-1(9)24711(16)-pentaen-5-yl}sulfanyl)acetate

SMILES

COC(CSc1nnc2n1c(-c1ccccc1)nc1c2c(CCCC2)c2s1)=O

InChI

InChI=1S/C20H18N4O2S2/c1-26-15(25)11-27-20-23-22-18-16-13-9-5-6-10-14(13)28-19(16)21-17(24(18)20)12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-11H2,1H3

InChI Key

SKNXTBQSNYZDFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03295092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.799

Distribution Coefficient, logD

3.799

Water Solubility, LogSw

-4.24

Polar Surface Area

55.182

Acid Dissociation Constant (pKa)

19.26

Base Dissociation Constant (pKb)

4.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

8016-2467 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8016-2467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-2467?
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What is the minimum amount of 8016-2467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-2467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-2467
  • 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 8016-2467 available by request