4483-3581 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 2-(4-ethylphenyl)-6-methylquinoline-4-carboxylate

4483-3581 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 2-(4-ethylphenyl)-6-methylquinoline-4-carboxylate
4483-3581 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 2-(4-ethylphenyl)-6-methylquinoline-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4483-3581
2-(4-bromophenyl)-2-oxoethyl 2-(4-ethylphenyl)-6-methylquinoline-4-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

4483-3581

Molecular Formula

C27H22BrNO3 (C27 H22 BrNO3)

Compound Name

2-(4-bromophenyl)-2-oxoethyl 2-(4-ethylphenyl)-6-methylquinoline-4-carboxylate

IUPAC name

2-(4-bromophenyl)-2-oxoethyl 2-(4-ethylphenyl)-6-methylquinoline-4-carboxylate

SMILES

CCc(cc1)ccc1-c1nc2ccc(C)cc2c(C(OCC(c(cc2)ccc2Br)=O)=O)c1

InChI

InChI=1S/C27H22BrNO3/c1-3-18-5-7-19(8-6-18)25-15-23(22-14-17(2)4-13-24(22)29-25)27(31)32-16-26(30)20-9-11-21(28)12-10-20/h4-15H,3,16H2,1-2H3

InChI Key

WPBPMDDWNFYXBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02067722

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.945

Distribution Coefficient, logD

7.866

Water Solubility, LogSw

-5.74

Polar Surface Area

42.402

Acid Dissociation Constant (pKa)

21.67

Base Dissociation Constant (pKb)

6.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

4483-3581 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 4483-3581 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4483-3581?
Check Price and Availability of 4483-3581, 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 4483-3581 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4483-3581
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4483-3581
  • 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 4483-3581 available by request