5508-0268 Screening compound: 5-(ethylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-ylhydrosulfide

5508-0268 Screening compound: 5-(ethylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-ylhydrosulfide
5508-0268 Screening compound: 5-(ethylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-ylhydrosulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5508-0268
5-(ethylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-ylhydrosulfide

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

5508-0268

Molecular Formula

C13H14N4S3 (C13 H14 N4 S3)

Compound Name

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

IUPAC name

7-(ethylsulfanyl)-10-thia-3468-tetraazatetracyclo[7.7.0.0^{26}.0^{1116}]hexadeca-1(9)24711(16)-pentaene-5-thiol

SMILES

CCSc(n12)nc(sc3c4CCCC3)c4c2nnc1S

InChI

InChI=1S/C13H14N4S3/c1-2-19-13-14-11-9(10-15-16-12(18)17(10)13)7-5-3-4-6-8(7)20-11/h2-6H2,1H3,(H,16,18)

InChI Key

OLEXLFZNBBVQRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14710619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.344

Distribution Coefficient, logD

2.557

Water Solubility, LogSw

-3.58

Polar Surface Area

33.769

Acid Dissociation Constant (pKa)

6.69

Base Dissociation Constant (pKb)

3.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

5508-0268 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5508-0268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5508-0268?
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What is the minimum amount of 5508-0268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5508-0268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5508-0268
  • 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 5508-0268 available by request