7165-0790 Screening compound: 2-{[(2Z)-6-methoxy-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}-3-methyl-1,3-benzothiazol-3-ium

7165-0790 Screening compound: 2-{[(2Z)-6-methoxy-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}-3-methyl-1,3-benzothiazol-3-ium
7165-0790 Screening compound: 2-{[(2Z)-6-methoxy-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}-3-methyl-1,3-benzothiazol-3-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 7165-0790
2-{[(2Z)-6-methoxy-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}-3-methyl-1,3-benzothiazol-3-ium

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

7165-0790

Molecular Formula

C20H19N2OS2 (C20 H19 N2 OS2)

Compound Name

2-{[(2Z)-6-methoxy-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}-3-methyl-1,3-benzothiazol-3-ium

IUPAC name

2-{[(2Z)-6-methoxy-3-(prop-2-en-1-yl)-23-dihydro-13-benzothiazol-2-ylidene]methyl}-3-methyl-13-benzothiazol-3-ium

SMILES

C[n+]1c(/C=C2\Sc(cc(cc3)OC)c3N2CC=C)sc2c1cccc2

InChI

InChI=1S/C20H19N2OS2/c1-4-11-22-16-10-9-14(23-3)12-18(16)25-20(22)13-19-21(2)15-7-5-6-8-17(15)24-19/h4-10,12-13H,1,11H2,2-3H3/q+1

InChI Key

OLIWHEDCBJMRIV-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

367.52

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.498

Distribution Coefficient, logD

5.498

Water Solubility, LogSw

-5.39

Polar Surface Area

11.025

Acid Dissociation Constant (pKa)

28.61

Base Dissociation Constant (pKb)

-0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

7165-0790 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 7165-0790 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7165-0790?
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What is the minimum amount of 7165-0790 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7165-0790
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7165-0790
  • 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 7165-0790 available by request