7165-0023 Screening compound: 1-ethyl-2-{[(2Z)-3-(2-hydroxyethyl)-6-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}-6-methylquinolin-1-ium

7165-0023 Screening compound: 1-ethyl-2-{[(2Z)-3-(2-hydroxyethyl)-6-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}-6-methylquinolin-1-ium
7165-0023 Screening compound: 1-ethyl-2-{[(2Z)-3-(2-hydroxyethyl)-6-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}-6-methylquinolin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 7165-0023
1-ethyl-2-{[(2Z)-3-(2-hydroxyethyl)-6-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}-6-methylquinolin-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

7165-0023

Molecular Formula

C23H25N2OS (C23 H25 N2 OS)

Compound Name

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

IUPAC name

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

SMILES

CC[n+]1c(/C=C2\Sc(cc(C)cc3)c3N2CCO)ccc2cc(C)ccc12

InChI

InChI=1S/C23H25N2OS/c1-4-24-19(8-7-18-13-16(2)5-9-20(18)24)15-23-25(11-12-26)21-10-6-17(3)14-22(21)27-23/h5-10,13-15,26H,4,11-12H2,1-3H3/q+1

InChI Key

KLGYKFYLQIKLKU-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

377.53

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

5.771

Distribution Coefficient, logD

5.771

Water Solubility, LogSw

-5.78

Polar Surface Area

18.198

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

7165-0023 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 7165-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7165-0023?
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What is the minimum amount of 7165-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7165-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7165-0023
  • 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 7165-0023 available by request