3511-0013 Screening compound: 7-bromo-5-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}quinolin-8-ol

3511-0013 Screening compound: 7-bromo-5-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}quinolin-8-ol
3511-0013 Screening compound: 7-bromo-5-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}quinolin-8-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3511-0013
7-bromo-5-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}quinolin-8-ol

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

3511-0013

Molecular Formula

C21H22BrN3O2 (C21 H22 BrN3 O2)

Compound Name

7-bromo-5-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}quinolin-8-ol

IUPAC name

7-bromo-5-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}quinolin-8-ol

SMILES

COc(cccc1)c1N1CCN(Cc(c2cccnc22)cc(Br)c2O)CC1

InChI

InChI=1S/C21H22BrN3O2/c1-27-19-7-3-2-6-18(19)25-11-9-24(10-12-25)14-15-13-17(22)21(26)20-16(15)5-4-8-23-20/h2-8,13,26H,9-12,14H2,1H3

InChI Key

HDIRLWYGQMZPSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01205333

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.940

Distribution Coefficient, logD

3.881

Water Solubility, LogSw

-3.89

Polar Surface Area

39.573

Acid Dissociation Constant (pKa)

8.60

Base Dissociation Constant (pKb)

6.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

3511-0013 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 3511-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3511-0013?
Check Price and Availability of 3511-0013, 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 3511-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3511-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3511-0013
  • 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 3511-0013 available by request