7771-0752 Screening compound: 5-methoxy-3-methyl-2-{[(2E)-1-methyl-1,2-dihydroquinolin-2-ylidene]methyl}-1,3-benzothiazol-3-ium

7771-0752 Screening compound: 5-methoxy-3-methyl-2-{[(2E)-1-methyl-1,2-dihydroquinolin-2-ylidene]methyl}-1,3-benzothiazol-3-ium
7771-0752 Screening compound: 5-methoxy-3-methyl-2-{[(2E)-1-methyl-1,2-dihydroquinolin-2-ylidene]methyl}-1,3-benzothiazol-3-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 7771-0752
5-methoxy-3-methyl-2-{[(2E)-1-methyl-1,2-dihydroquinolin-2-ylidene]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

7771-0752

Molecular Formula

C20H19N2OS (C20 H19 N2 OS)

Compound Name

5-methoxy-3-methyl-2-{[(2E)-1-methyl-1,2-dihydroquinolin-2-ylidene]methyl}-1,3-benzothiazol-3-ium

IUPAC name

5-methoxy-3-methyl-2-{[(2E)-1-methyl-12-dihydroquinolin-2-ylidene]methyl}-13-benzothiazol-3-ium

SMILES

CN1c(cccc2)c2C=C/C1=C\c1[n+](C)c(cc(cc2)OC)c2s1

InChI

InChI=1S/C20H19N2OS/c1-21-15(9-8-14-6-4-5-7-17(14)21)12-20-22(2)18-13-16(23-3)10-11-19(18)24-20/h4-13H,1-3H3/q+1

InChI Key

DDBIHTFJHYYLKZ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

335.45

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.854

Distribution Coefficient, logD

4.854

Water Solubility, LogSw

-4.65

Polar Surface Area

10.445

Acid Dissociation Constant (pKa)

28.61

Base Dissociation Constant (pKb)

-2.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

7771-0752 in Drug Discovery

Included in Screening Libraries

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 7771-0752 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7771-0752?
Check Price and Availability of 7771-0752, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 7771-0752 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7771-0752
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7771-0752
  • 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 7771-0752 available by request