7165-0669 Screening compound: 1-ethyl-2-{[(2Z)-5-methoxy-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}-6-methylquinolin-1-ium

7165-0669 Screening compound: 1-ethyl-2-{[(2Z)-5-methoxy-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}-6-methylquinolin-1-ium
7165-0669 Screening compound: 1-ethyl-2-{[(2Z)-5-methoxy-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}-6-methylquinolin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 7165-0669
1-ethyl-2-{[(2Z)-5-methoxy-3-(prop-2-en-1-yl)-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

7165-0669

Molecular Formula

C24H25N2OS (C24 H25 N2 OS)

Compound Name

1-ethyl-2-{[(2Z)-5-methoxy-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}-6-methylquinolin-1-ium

IUPAC name

1-ethyl-2-{[(2Z)-5-methoxy-3-(prop-2-en-1-yl)-23-dihydro-13-benzothiazol-2-ylidene]methyl}-6-methylquinolin-1-ium

SMILES

CC[n+]1c(/C=C2\Sc(ccc(OC)c3)c3N2CC=C)ccc2cc(C)ccc12

InChI

InChI=1S/C24H25N2OS/c1-5-13-26-22-16-20(27-4)10-12-23(22)28-24(26)15-19-9-8-18-14-17(3)7-11-21(18)25(19)6-2/h5,7-12,14-16H,1,6,13H2,2-4H3/q+1

InChI Key

UNKSMGXXOZEUAP-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

389.54

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.863

Distribution Coefficient, logD

6.863

Water Solubility, LogSw

-6.01

Polar Surface Area

9.086

Acid Dissociation Constant (pKa)

25.33

Base Dissociation Constant (pKb)

-0.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

7165-0669 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 7165-0669 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7165-0669?
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What is the minimum amount of 7165-0669 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7165-0669
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7165-0669
  • 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 7165-0669 available by request