7165-0510 Screening compound: 2-{[(2Z)-3-ethyl-4,5-diphenyl-2,3-dihydro-1,3-thiazol-2-ylidene]methyl}-1,6-dimethylquinolin-1-ium

7165-0510 Screening compound: 2-{[(2Z)-3-ethyl-4,5-diphenyl-2,3-dihydro-1,3-thiazol-2-ylidene]methyl}-1,6-dimethylquinolin-1-ium
7165-0510 Screening compound: 2-{[(2Z)-3-ethyl-4,5-diphenyl-2,3-dihydro-1,3-thiazol-2-ylidene]methyl}-1,6-dimethylquinolin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 7165-0510
2-{[(2Z)-3-ethyl-4,5-diphenyl-2,3-dihydro-1,3-thiazol-2-ylidene]methyl}-1,6-dimethylquinolin-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

7165-0510

Molecular Formula

C29H27N2S (C29 H27 N2 S)

Compound Name

2-{[(2Z)-3-ethyl-4,5-diphenyl-2,3-dihydro-1,3-thiazol-2-ylidene]methyl}-1,6-dimethylquinolin-1-ium

IUPAC name

2-{[(2Z)-3-ethyl-45-diphenyl-23-dihydro-13-thiazol-2-ylidene]methyl}-16-dimethylquinolin-1-ium

SMILES

CCN1C(c2ccccc2)=C(c2ccccc2)S/C1=C\c1[n+](C)c2ccc(C)cc2cc1

InChI

InChI=1S/C29H27N2S/c1-4-31-27(20-25-17-16-24-19-21(2)15-18-26(24)30(25)3)32-29(23-13-9-6-10-14-23)28(31)22-11-7-5-8-12-22/h5-20H,4H2,1-3H3/q+1

InChI Key

KYMDJODQERZNGL-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

435.61

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

7.998

Distribution Coefficient, logD

7.998

Water Solubility, LogSw

-6.08

Polar Surface Area

2.741

Acid Dissociation Constant (pKa)

27.62

Base Dissociation Constant (pKb)

-7.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.80

7165-0510 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 7165-0510 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7165-0510?
Check Price and Availability of 7165-0510, 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 7165-0510 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7165-0510
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7165-0510
  • 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 7165-0510 available by request