6188-0147 Screening compound: 2-[(1E)-2-(5-bromo-2-ethoxyphenyl)ethenyl]quinolin-8-yl acetate

6188-0147 Screening compound: 2-[(1E)-2-(5-bromo-2-ethoxyphenyl)ethenyl]quinolin-8-yl acetate
6188-0147 Screening compound: 2-[(1E)-2-(5-bromo-2-ethoxyphenyl)ethenyl]quinolin-8-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6188-0147
2-[(1E)-2-(5-bromo-2-ethoxyphenyl)ethenyl]quinolin-8-yl acetate

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

6188-0147

Molecular Formula

C21H18BrNO3 (C21 H18 BrNO3)

Compound Name

2-[(1E)-2-(5-bromo-2-ethoxyphenyl)ethenyl]quinolin-8-yl acetate

IUPAC name

2-[(1E)-2-(5-bromo-2-ethoxyphenyl)ethenyl]quinolin-8-yl acetate

SMILES

CCOc(cc1)c(/C=C/c(ccc2ccc3)nc2c3OC(C)=O)cc1Br

InChI

InChI=1S/C21H18BrNO3/c1-3-25-19-12-9-17(22)13-16(19)8-11-18-10-7-15-5-4-6-20(21(15)23-18)26-14(2)24/h4-13H,3H2,1-2H3

InChI Key

SQQXVHRXVLNWBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03717535

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.498

Distribution Coefficient, logD

5.498

Water Solubility, LogSw

-6.17

Polar Surface Area

37.611

Acid Dissociation Constant (pKa)

22.21

Base Dissociation Constant (pKb)

3.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

6188-0147 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 6188-0147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6188-0147?
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What is the minimum amount of 6188-0147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6188-0147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6188-0147
  • 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 6188-0147 available by request