8015-2445 Screening compound: 3-hydroxy-3-{2-oxo-2-[4-(1H-1,2,3,4-tetrazol-1-yl)phenyl]ethyl}-2,3-dihydro-1H-indol-2-one

8015-2445 Screening compound: 3-hydroxy-3-{2-oxo-2-[4-(1H-1,2,3,4-tetrazol-1-yl)phenyl]ethyl}-2,3-dihydro-1H-indol-2-one
8015-2445 Screening compound: 3-hydroxy-3-{2-oxo-2-[4-(1H-1,2,3,4-tetrazol-1-yl)phenyl]ethyl}-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-2445
3-hydroxy-3-{2-oxo-2-[4-(1H-1,2,3,4-tetrazol-1-yl)phenyl]ethyl}-2,3-dihydro-1H-indol-2-one

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

8015-2445

Molecular Formula

C17H13N5O3 (C17 H13 N5 O3)

Compound Name

3-hydroxy-3-{2-oxo-2-[4-(1H-1,2,3,4-tetrazol-1-yl)phenyl]ethyl}-2,3-dihydro-1H-indol-2-one

IUPAC name

3-hydroxy-3-{2-oxo-2-[4-(1H-1234-tetrazol-1-yl)phenyl]ethyl}-23-dihydro-1H-indol-2-one

SMILES

OC(CC(c(cc1)ccc1-n1nnnc1)=O)(c(cccc1)c1N1)C1=O

InChI

InChI=1S/C17H13N5O3/c23-15(11-5-7-12(8-6-11)22-10-18-20-21-22)9-17(25)13-3-1-2-4-14(13)19-16(17)24/h1-8,10,25H,9H2,(H,19,24)/t17-/m0/s1

InChI Key

ZDYULAAQKNTMGD-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD03856284

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.969

Distribution Coefficient, logD

0.969

Water Solubility, LogSw

-2.42

Polar Surface Area

93.583

Acid Dissociation Constant (pKa)

11.54

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.80

8015-2445 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

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

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8015-2445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-2445?
Check Price and Availability of 8015-2445, 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 8015-2445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-2445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-2445
  • 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 8015-2445 available by request