5695-0858 Screening compound: 3,6-diethyl 4-{[3-(pyridine-3-carbonyloxy)propyl]amino}quinoline-3,6-dicarboxylate

5695-0858 Screening compound: 3,6-diethyl 4-{[3-(pyridine-3-carbonyloxy)propyl]amino}quinoline-3,6-dicarboxylate
5695-0858 Screening compound: 3,6-diethyl 4-{[3-(pyridine-3-carbonyloxy)propyl]amino}quinoline-3,6-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5695-0858
3,6-diethyl 4-{[3-(pyridine-3-carbonyloxy)propyl]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

5695-0858

Molecular Formula

C24H25N3O6 (C24 H25 N3 O6)

Compound Name

3,6-diethyl 4-{[3-(pyridine-3-carbonyloxy)propyl]amino}quinoline-3,6-dicarboxylate

IUPAC name

36-diethyl 4-{[3-(pyridine-3-carbonyloxy)propyl]amino}quinoline-36-dicarboxylate

SMILES

CCOC(c(cc12)ccc2ncc(C(OCC)=O)c1NCCCOC(c1cnccc1)=O)=O

InChI

InChI=1S/C24H25N3O6/c1-3-31-22(28)16-8-9-20-18(13-16)21(19(15-27-20)24(30)32-4-2)26-11-6-12-33-23(29)17-7-5-10-25-14-17/h5,7-10,13-15H,3-4,6,11-12H2,1-2H3,(H,26,27)

InChI Key

XCSXHWUTJUUKPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03619942

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.48

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.904

Distribution Coefficient, logD

3.904

Water Solubility, LogSw

-3.70

Polar Surface Area

89.844

Acid Dissociation Constant (pKa)

16.31

Base Dissociation Constant (pKb)

1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

5695-0858 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5695-0858 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5695-0858?
Check Price and Availability of 5695-0858, 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 5695-0858 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5695-0858
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5695-0858
  • 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 5695-0858 available by request