2075-0129 Screening compound: quinolin-8-yl 4-propoxybenzoate

2075-0129 Screening compound: quinolin-8-yl 4-propoxybenzoate
2075-0129 Screening compound: quinolin-8-yl 4-propoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2075-0129
quinolin-8-yl 4-propoxybenzoate

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

2075-0129

Molecular Formula

C19H17NO3 (C19 H17 NO3)

Compound Name

quinolin-8-yl 4-propoxybenzoate

IUPAC name

quinolin-8-yl 4-propoxybenzoate

SMILES

CCCOc(cc1)ccc1C(Oc1cccc2cccnc12)=O

InChI

InChI=1S/C19H17NO3/c1-2-13-22-16-10-8-15(9-11-16)19(21)23-17-7-3-5-14-6-4-12-20-18(14)17/h3-12H,2,13H2,1H3

InChI Key

SPNVAFXWMYCGNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01839631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.219

Distribution Coefficient, logD

4.218

Water Solubility, LogSw

-3.91

Polar Surface Area

37.654

Acid Dissociation Constant (pKa)

27.49

Base Dissociation Constant (pKb)

4.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

2075-0129 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 2075-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2075-0129?
Check Price and Availability of 2075-0129, 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 2075-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2075-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2075-0129
  • 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 2075-0129 available by request