2968-0083 Screening compound: (1,3-benzothiazol-2-yl)(4-methoxyphenyl)methanol

2968-0083 Screening compound: (1,3-benzothiazol-2-yl)(4-methoxyphenyl)methanol
2968-0083 Screening compound: (1,3-benzothiazol-2-yl)(4-methoxyphenyl)methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 2968-0083
(1,3-benzothiazol-2-yl)(4-methoxyphenyl)methanol

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

2968-0083

Molecular Formula

C15H13NO2S (C15 H13 NO2 S)

Compound Name

(1,3-benzothiazol-2-yl)(4-methoxyphenyl)methanol

IUPAC name

(13-benzothiazol-2-yl)(4-methoxyphenyl)methanol

SMILES

COc1ccc(C(c2nc(cccc3)c3s2)O)cc1

InChI

InChI=1S/C15H13NO2S/c1-18-11-8-6-10(7-9-11)14(17)15-16-12-4-2-3-5-13(12)19-15/h2-9,14,17H,1H3/t14-/m1/s1

InChI Key

IBZWNCTWDYZBNG-CQSZACIVSA-N

MDL Number (MFCD)

MFCD00569750

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

271.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.385

Distribution Coefficient, logD

3.385

Water Solubility, LogSw

-3.47

Polar Surface Area

32.916

Acid Dissociation Constant (pKa)

14.03

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.30

2968-0083 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Cardiovascular Library (22201 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cardiovascular
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 2968-0083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2968-0083?
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What is the minimum amount of 2968-0083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2968-0083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2968-0083
  • 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 2968-0083 available by request