8013-1496 Screening compound: (2,1,3-benzoxadiazol-5-yl)methyl 1H,2H,3H-cyclopenta[b]quinoline-9-carboxylate

8013-1496 Screening compound: (2,1,3-benzoxadiazol-5-yl)methyl 1H,2H,3H-cyclopenta[b]quinoline-9-carboxylate
8013-1496 Screening compound: (2,1,3-benzoxadiazol-5-yl)methyl 1H,2H,3H-cyclopenta[b]quinoline-9-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-1496
(2,1,3-benzoxadiazol-5-yl)methyl 1H,2H,3H-cyclopenta[b]quinoline-9-carboxylate

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

8013-1496

Molecular Formula

C20H15N3O3 (C20 H15 N3 O3)

Compound Name

(2,1,3-benzoxadiazol-5-yl)methyl 1H,2H,3H-cyclopenta[b]quinoline-9-carboxylate

IUPAC name

(213-benzoxadiazol-5-yl)methyl 1H2H3H-cyclopenta[b]quinoline-9-carboxylate

SMILES

O=C(c1c(CCC2)c2nc2ccccc12)OCc1cc2nonc2cc1

InChI

InChI=1S/C20H15N3O3/c24-20(25-11-12-8-9-17-18(10-12)23-26-22-17)19-13-4-1-2-6-15(13)21-16-7-3-5-14(16)19/h1-2,4,6,8-10H,3,5,7,11H2

InChI Key

VZXJTBGWRDTPQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03409348

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.395

Distribution Coefficient, logD

4.394

Water Solubility, LogSw

-4.81

Polar Surface Area

66.534

Acid Dissociation Constant (pKa)

15.31

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8013-1496 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Antiviral Library (67538 compounds)

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

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Agro:
  • Agro
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8013-1496 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1496?
Check Price and Availability of 8013-1496, 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 8013-1496 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1496
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1496
  • 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 8013-1496 available by request