7165-0037 Screening compound: 2-{[(2Z)-3-ethyl-6-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}-1-(2-hydroxyethyl)quinolin-1-ium

7165-0037 Screening compound: 2-{[(2Z)-3-ethyl-6-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}-1-(2-hydroxyethyl)quinolin-1-ium
7165-0037 Screening compound: 2-{[(2Z)-3-ethyl-6-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}-1-(2-hydroxyethyl)quinolin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 7165-0037
2-{[(2Z)-3-ethyl-6-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}-1-(2-hydroxyethyl)quinolin-1-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

7165-0037

Molecular Formula

C22H23N2OS (C22 H23 N2 OS)

Compound Name

2-{[(2Z)-3-ethyl-6-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}-1-(2-hydroxyethyl)quinolin-1-ium

IUPAC name

2-{[(2Z)-3-ethyl-6-methyl-23-dihydro-13-benzothiazol-2-ylidene]methyl}-1-(2-hydroxyethyl)quinolin-1-ium

SMILES

CCN1c(ccc(C)c2)c2S/C1=C\c1[n+](CCO)c2ccccc2cc1

InChI

InChI=1S/C22H23N2OS/c1-3-23-20-11-8-16(2)14-21(20)26-22(23)15-18-10-9-17-6-4-5-7-19(17)24(18)12-13-25/h4-11,14-15,25H,3,12-13H2,1-2H3/q+1

InChI Key

RDTGPEBGWWRMHN-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

363.5

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.263

Distribution Coefficient, logD

5.263

Water Solubility, LogSw

-5.65

Polar Surface Area

18.198

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

7165-0037 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7165-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7165-0037?
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What is the minimum amount of 7165-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7165-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7165-0037
  • 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 7165-0037 available by request