4789-4575 Screening compound: 3,6-diethyl 4-[(3-hydroxypropyl)amino]quinoline-3,6-dicarboxylate

4789-4575 Screening compound: 3,6-diethyl 4-[(3-hydroxypropyl)amino]quinoline-3,6-dicarboxylate
4789-4575 Screening compound: 3,6-diethyl 4-[(3-hydroxypropyl)amino]quinoline-3,6-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4789-4575
3,6-diethyl 4-[(3-hydroxypropyl)amino]quinoline-3,6-dicarboxylate

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

4789-4575

Molecular Formula

C18H22N2O5 (C18 H22 N2 O5)

Compound Name

3,6-diethyl 4-[(3-hydroxypropyl)amino]quinoline-3,6-dicarboxylate

IUPAC name

36-diethyl 4-[(3-hydroxypropyl)amino]quinoline-36-dicarboxylate

SMILES

CCOC(c(cc12)ccc2ncc(C(OCC)=O)c1NCCCO)=O

InChI

InChI=1S/C18H22N2O5/c1-3-24-17(22)12-6-7-15-13(10-12)16(19-8-5-9-21)14(11-20-15)18(23)25-4-2/h6-7,10-11,21H,3-5,8-9H2,1-2H3,(H,19,20)

InChI Key

VUXNLJYIMMJZDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02968769

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.381

Distribution Coefficient, logD

2.381

Water Solubility, LogSw

-2.76

Polar Surface Area

76.206

Acid Dissociation Constant (pKa)

15.88

Base Dissociation Constant (pKb)

1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

4789-4575 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 4789-4575 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4789-4575?
Check Price and Availability of 4789-4575, 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 4789-4575 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4789-4575
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4789-4575
  • 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 4789-4575 available by request