8007-6941 Screening compound: 4-(4-chlorophenyl)-4-azatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione

8007-6941 Screening compound: 4-(4-chlorophenyl)-4-azatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione
8007-6941 Screening compound: 4-(4-chlorophenyl)-4-azatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-6941
4-(4-chlorophenyl)-4-azatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione

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

8007-6941

Molecular Formula

C16H14ClNO2 (C16 H14 ClNO2)

Compound Name

4-(4-chlorophenyl)-4-azatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione

IUPAC name

4-(4-chlorophenyl)-4-azatricyclo[5.2.2.0^{26}]undec-8-ene-35-dione

SMILES

O=C(C1C(CC2)C=CC2C1C1=O)N1c(cc1)ccc1Cl

InChI

InChI=1S/C16H14ClNO2/c17-11-5-7-12(8-6-11)18-15(19)13-9-1-2-10(4-3-9)14(13)16(18)20/h1-2,5-10,13-14H,3-4H2

InChI Key

GKNXOIQWUMCVKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01176528

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.75

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.564

Distribution Coefficient, logD

2.564

Water Solubility, LogSw

-2.93

Polar Surface Area

28.993

Acid Dissociation Constant (pKa)

17.46

Base Dissociation Constant (pKb)

-6.40

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

37.50

8007-6941 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8007-6941 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-6941?
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What is the minimum amount of 8007-6941 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-6941
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-6941
  • 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 8007-6941 available by request