8009-3534 Screening compound: N~9~-(4-methylphenyl)bicyclo[6.1.0]non-2-ene-9-carboxamide

8009-3534 Screening compound: N~9~-(4-methylphenyl)bicyclo[6.1.0]non-2-ene-9-carboxamide
8009-3534 Screening compound: N~9~-(4-methylphenyl)bicyclo[6.1.0]non-2-ene-9-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-3534
N~9~-(4-methylphenyl)bicyclo[6.1.0]non-2-ene-9-carboxamide

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

8009-3534

Molecular Formula

C17H21NO (C17 H21 NO)

Compound Name

N~9~-(4-methylphenyl)bicyclo[6.1.0]non-2-ene-9-carboxamide

IUPAC name

(2Z)-N-(4-methylphenyl)bicyclo[6.1.0]non-2-ene-9-carboxamide

SMILES

Cc(cc1)ccc1NC(C1C2/C=C\CCCCC12)=O

InChI

InChI=1S/C17H21NO/c1-12-8-10-13(11-9-12)18-17(19)16-14-6-4-2-3-5-7-15(14)16/h4,6,8-11,14-16H,2-3,5,7H2,1H3,(H,18,19)

InChI Key

UENRIPSOQAGGJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01571709

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

255.36

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.651

Distribution Coefficient, logD

4.651

Water Solubility, LogSw

-4.34

Polar Surface Area

24.104

Acid Dissociation Constant (pKa)

11.87

Base Dissociation Constant (pKb)

3.01

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

47.06

8009-3534 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8009-3534 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-3534?
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What is the minimum amount of 8009-3534 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-3534
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-3534
  • 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 8009-3534 available by request