8018-8796 Screening compound: 2-{6',7'-dichloro-2'-oxo-1',2'-dihydrospiro[1,3-dioxane-2,3'-indol]-1'-yl}acetonitrile

8018-8796 Screening compound: 2-{6',7'-dichloro-2'-oxo-1',2'-dihydrospiro[1,3-dioxane-2,3'-indol]-1'-yl}acetonitrile
8018-8796 Screening compound: 2-{6',7'-dichloro-2'-oxo-1',2'-dihydrospiro[1,3-dioxane-2,3'-indol]-1'-yl}acetonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-8796
2-{6',7'-dichloro-2'-oxo-1',2'-dihydrospiro[1,3-dioxane-2,3'-indol]-1'-yl}acetonitrile

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

8018-8796

Molecular Formula

C13H10Cl2N2O3 (C13 H10 Cl2 N2 O3)

Compound Name

2-{6',7'-dichloro-2'-oxo-1',2'-dihydrospiro[1,3-dioxane-2,3'-indol]-1'-yl}acetonitrile

IUPAC name

2-{6'7'-dichloro-2'-oxo-1'2'-dihydrospiro[13-dioxane-23'-indol]-1'-yl}acetonitrile

SMILES

N#CCN(C(C12OCCCO1)=O)c1c2ccc(Cl)c1Cl

InChI

InChI=1S/C13H10Cl2N2O3/c14-9-3-2-8-11(10(9)15)17(5-4-16)12(18)13(8)19-6-1-7-20-13/h2-3H,1,5-7H2

InChI Key

YREUCRKFKWFSJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07441789

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.14

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.574

Distribution Coefficient, logD

2.574

Water Solubility, LogSw

-3.62

Polar Surface Area

51.140

Acid Dissociation Constant (pKa)

22.85

Base Dissociation Constant (pKb)

-7.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

8018-8796 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

BRD4 Targeted Library (4534 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Agro:
  • Agro
  • Agro
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8018-8796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-8796?
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What is the minimum amount of 8018-8796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-8796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-8796
  • 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 8018-8796 available by request