5695-0833 Screening compound: 3,6-diethyl 4-({3-[(2-methylpropanoyl)oxy]propyl}amino)quinoline-3,6-dicarboxylate

5695-0833 Screening compound: 3,6-diethyl 4-({3-[(2-methylpropanoyl)oxy]propyl}amino)quinoline-3,6-dicarboxylate
5695-0833 Screening compound: 3,6-diethyl 4-({3-[(2-methylpropanoyl)oxy]propyl}amino)quinoline-3,6-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5695-0833
3,6-diethyl 4-({3-[(2-methylpropanoyl)oxy]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

5695-0833

Molecular Formula

C22H28N2O6 (C22 H28 N2 O6)

Compound Name

3,6-diethyl 4-({3-[(2-methylpropanoyl)oxy]propyl}amino)quinoline-3,6-dicarboxylate

IUPAC name

36-diethyl 4-({3-[(2-methylpropanoyl)oxy]propyl}amino)quinoline-36-dicarboxylate

SMILES

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

InChI

InChI=1S/C22H28N2O6/c1-5-28-21(26)15-8-9-18-16(12-15)19(17(13-24-18)22(27)29-6-2)23-10-7-11-30-20(25)14(3)4/h8-9,12-14H,5-7,10-11H2,1-4H3,(H,23,24)

InChI Key

YYBMHVLZFSBEJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03619941

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.340

Distribution Coefficient, logD

4.340

Water Solubility, LogSw

-4.12

Polar Surface Area

80.598

Acid Dissociation Constant (pKa)

16.31

Base Dissociation Constant (pKb)

1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

References: we are preparing a list of scientific research reports with 5695-0833 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5695-0833?
Check Price and Availability of 5695-0833, 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 5695-0833 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5695-0833
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5695-0833
  • 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 5695-0833 available by request