5977-0222 Screening compound: ethyl 6-bromo-4-[(2-phenylethyl)amino]quinoline-3-carboxylate

5977-0222 Screening compound: ethyl 6-bromo-4-[(2-phenylethyl)amino]quinoline-3-carboxylate
5977-0222 Screening compound: ethyl 6-bromo-4-[(2-phenylethyl)amino]quinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5977-0222
ethyl 6-bromo-4-[(2-phenylethyl)amino]quinoline-3-carboxylate

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

5977-0222

Molecular Formula

C20H19BrN2O2 (C20 H19 BrN2 O2)

Compound Name

ethyl 6-bromo-4-[(2-phenylethyl)amino]quinoline-3-carboxylate

IUPAC name

ethyl 6-bromo-4-[(2-phenylethyl)amino]quinoline-3-carboxylate

SMILES

CCOC(c1cnc(ccc(Br)c2)c2c1NCCc1ccccc1)=O

InChI

InChI=1S/C20H19BrN2O2/c1-2-25-20(24)17-13-23-18-9-8-15(21)12-16(18)19(17)22-11-10-14-6-4-3-5-7-14/h3-9,12-13H,2,10-11H2,1H3,(H,22,23)

InChI Key

YYCFGCMCPCZOHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02968572

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.674

Distribution Coefficient, logD

4.674

Water Solubility, LogSw

-4.26

Polar Surface Area

38.525

Acid Dissociation Constant (pKa)

15.59

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 5977-0222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5977-0222?
Check Price and Availability of 5977-0222, 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 5977-0222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5977-0222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5977-0222
  • 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 5977-0222 available by request