4159-0152 Screening compound: 4-butyl-1-sulfanyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

4159-0152 Screening compound: 4-butyl-1-sulfanyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
4159-0152 Screening compound: 4-butyl-1-sulfanyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4159-0152
4-butyl-1-sulfanyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

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

4159-0152

Molecular Formula

C15H18N4OS2 (C15 H18 N4 OS2)

Compound Name

4-butyl-1-sulfanyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

IUPAC name

7-butyl-3-sulfanyl-16-thia-2457-tetraazatetracyclo[7.7.0.0^{26}.0^{1015}]hexadeca-1(9)3510(15)-tetraen-8-one

SMILES

CCCCN(c(n1-c2c3c(CCCC4)c4s2)nnc1S)C3=O

InChI

InChI=1S/C15H18N4OS2/c1-2-3-8-18-12(20)11-9-6-4-5-7-10(9)22-13(11)19-14(18)16-17-15(19)21/h2-8H2,1H3,(H,17,21)

InChI Key

AZBASRMDRFCVJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03016358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.442

Distribution Coefficient, logD

1.949

Water Solubility, LogSw

-3.69

Polar Surface Area

38.679

Acid Dissociation Constant (pKa)

5.92

Base Dissociation Constant (pKb)

-1.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.30

4159-0152 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4159-0152 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4159-0152?
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What is the minimum amount of 4159-0152 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4159-0152
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4159-0152
  • 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 4159-0152 available by request