3993-2882 Screening compound: 2-ethyl-4-[(1-phenyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

3993-2882 Screening compound: 2-ethyl-4-[(1-phenyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
3993-2882 Screening compound: 2-ethyl-4-[(1-phenyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3993-2882
2-ethyl-4-[(1-phenyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]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

3993-2882

Molecular Formula

C19H18N6S2 (C19 H18 N6 S2)

Compound Name

2-ethyl-4-[(1-phenyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

IUPAC name

5-ethyl-3-[(1-phenyl-1H-1234-tetrazol-5-yl)sulfanyl]-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraene

SMILES

CCc1nc(Sc2nnnn2-c2ccccc2)c(c(CCCC2)c2s2)c2n1

InChI

InChI=1S/C19H18N6S2/c1-2-15-20-17-16(13-10-6-7-11-14(13)26-17)18(21-15)27-19-22-23-24-25(19)12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3

InChI Key

DHQORYLILIEFDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02329835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.307

Distribution Coefficient, logD

5.304

Water Solubility, LogSw

-5.47

Polar Surface Area

60.607

Acid Dissociation Constant (pKa)

24.81

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

3993-2882 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Selective Target Activity Profiling Library (14702 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 3993-2882 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3993-2882?
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What is the minimum amount of 3993-2882 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3993-2882
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3993-2882
  • 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 3993-2882 available by request