D660-0393 Screening compound: [(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]({2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine

D660-0393 Screening compound: [(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]({2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine
D660-0393 Screening compound: [(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]({2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D660-0393
[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]({2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine

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

D660-0393

Molecular Formula

C18H19N5O2S (C18 H19 N5 O2 S)

Compound Name

[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]({2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine

IUPAC name

[(23-dihydro-14-benzodioxin-6-yl)methyl]({2-[(1-phenyl-1H-1234-tetrazol-5-yl)sulfanyl]ethyl})amine

SMILES

C(CSc1nnnn1-c1ccccc1)NCc(cc1)cc2c1OCCO2

InChI

InChI=1S/C18H19N5O2S/c1-2-4-15(5-3-1)23-18(20-21-22-23)26-11-8-19-13-14-6-7-16-17(12-14)25-10-9-24-16/h1-7,12,19H,8-11,13H2

InChI Key

UJYLLZKVNGIUPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09694206

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

369.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.535

Distribution Coefficient, logD

-2.200

Water Solubility, LogSw

-2.27

Polar Surface Area

67.591

Acid Dissociation Constant (pKa)

25.64

Base Dissociation Constant (pKb)

11.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

D660-0393 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

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 D660-0393 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D660-0393?
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What is the minimum amount of D660-0393 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D660-0393
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D660-0393
  • 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 D660-0393 available by request