4896-3623 Screening compound: 7-{[4-(benzyloxy)-3-chloro-5-ethoxyphenyl][(4-methylpyridin-2-yl)amino]methyl}quinolin-8-ol

4896-3623 Screening compound: 7-{[4-(benzyloxy)-3-chloro-5-ethoxyphenyl][(4-methylpyridin-2-yl)amino]methyl}quinolin-8-ol
4896-3623 Screening compound: 7-{[4-(benzyloxy)-3-chloro-5-ethoxyphenyl][(4-methylpyridin-2-yl)amino]methyl}quinolin-8-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4896-3623
7-{[4-(benzyloxy)-3-chloro-5-ethoxyphenyl][(4-methylpyridin-2-yl)amino]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

4896-3623

Molecular Formula

C31H28ClN3O3 (C31 H28 ClN3 O3)

Compound Name

7-{[4-(benzyloxy)-3-chloro-5-ethoxyphenyl][(4-methylpyridin-2-yl)amino]methyl}quinolin-8-ol

IUPAC name

7-{[4-(benzyloxy)-3-chloro-5-ethoxyphenyl][(4-methylpyridin-2-yl)amino]methyl}quinolin-8-ol

SMILES

CCOc1cc(C(c(ccc2cccnc22)c2O)Nc2nccc(C)c2)cc(Cl)c1OCc1ccccc1

InChI

InChI=1S/C31H28ClN3O3/c1-3-37-26-18-23(17-25(32)31(26)38-19-21-8-5-4-6-9-21)28(35-27-16-20(2)13-15-33-27)24-12-11-22-10-7-14-34-29(22)30(24)36/h4-18,28,36H,3,19H2,1-2H3,(H,33,35)/t28-/m0/s1

InChI Key

PIUTYAGHINCVIT-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD01929696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.03

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.184

Distribution Coefficient, logD

7.079

Water Solubility, LogSw

-6.13

Polar Surface Area

58.792

Acid Dissociation Constant (pKa)

10.20

Base Dissociation Constant (pKb)

6.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.10

4896-3623 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 4896-3623 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4896-3623?
Check Price and Availability of 4896-3623, 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 4896-3623 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4896-3623
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4896-3623
  • 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 4896-3623 available by request