7771-0542 Screening compound: 1-ethyl-2-{[(2Z)-3-ethyl-4,6-dimethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}-4-methylquinolin-1-ium

7771-0542 Screening compound: 1-ethyl-2-{[(2Z)-3-ethyl-4,6-dimethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}-4-methylquinolin-1-ium
7771-0542 Screening compound: 1-ethyl-2-{[(2Z)-3-ethyl-4,6-dimethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}-4-methylquinolin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 7771-0542
1-ethyl-2-{[(2Z)-3-ethyl-4,6-dimethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}-4-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

7771-0542

Molecular Formula

C24H27N2S (C24 H27 N2 S)

Compound Name

1-ethyl-2-{[(2Z)-3-ethyl-4,6-dimethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}-4-methylquinolin-1-ium

IUPAC name

1-ethyl-2-{[(2Z)-3-ethyl-46-dimethyl-23-dihydro-13-benzothiazol-2-ylidene]methyl}-4-methylquinolin-1-ium

SMILES

CCN1c(c(C)cc(C)c2)c2S/C1=C\c1[n+](CC)c2ccccc2c(C)c1

InChI

InChI=1S/C24H27N2S/c1-6-25-19(14-17(4)20-10-8-9-11-21(20)25)15-23-26(7-2)24-18(5)12-16(3)13-22(24)27-23/h8-15H,6-7H2,1-5H3/q+1

InChI Key

JZVHHOWMMBCPEL-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.56

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

7.549

Distribution Coefficient, logD

7.549

Water Solubility, LogSw

-5.91

Polar Surface Area

2.446

Acid Dissociation Constant (pKa)

25.33

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

7771-0542 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 7771-0542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7771-0542?
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What is the minimum amount of 7771-0542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7771-0542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7771-0542
  • 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 7771-0542 available by request