8016-6254 Screening compound: 2-(1,3-benzothiazol-2-yl)ethyl(diphenyl)phosphine oxide

8016-6254 Screening compound: 2-(1,3-benzothiazol-2-yl)ethyl(diphenyl)phosphine oxide
8016-6254 Screening compound: 2-(1,3-benzothiazol-2-yl)ethyl(diphenyl)phosphine oxide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-6254
2-(1,3-benzothiazol-2-yl)ethyl(diphenyl)phosphine oxide

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

8016-6254

Molecular Formula

C21H18NOPS (C21 H18 NOPS)

Compound Name

2-(1,3-benzothiazol-2-yl)ethyl(diphenyl)phosphine oxide

IUPAC name

2-[2-(diphenylphosphoroso)ethyl]-13-benzothiazole

SMILES

O=P(CCc1nc(cccc2)c2s1)(c1ccccc1)c1ccccc1

InChI

InChI=1S/C21H18NOPS/c23-24(17-9-3-1-4-10-17,18-11-5-2-6-12-18)16-15-21-22-19-13-7-8-14-20(19)25-21/h1-14H,15-16H2

InChI Key

RDVRNBWNKPIASF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05857884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.258

Distribution Coefficient, logD

5.258

Water Solubility, LogSw

-5.55

Polar Surface Area

22.050

Acid Dissociation Constant (pKa)

24.61

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.52

References: we are preparing a list of scientific research reports with 8016-6254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-6254?
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What is the minimum amount of 8016-6254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-6254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-6254
  • 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 8016-6254 available by request