3271-0287 Screening compound: N~15~-(4-methylphenyl)tetracyclo[6.6.2.0~2,7~.0~9,14~]hexadeca-2,4,6,9(14),10,12-hexaene-15-carboxamide

3271-0287 Screening compound: N~15~-(4-methylphenyl)tetracyclo[6.6.2.0~2,7~.0~9,14~]hexadeca-2,4,6,9(14),10,12-hexaene-15-carboxamide
3271-0287 Screening compound: N~15~-(4-methylphenyl)tetracyclo[6.6.2.0~2,7~.0~9,14~]hexadeca-2,4,6,9(14),10,12-hexaene-15-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3271-0287
N~15~-(4-methylphenyl)tetracyclo[6.6.2.0~2,7~.0~9,14~]hexadeca-2,4,6,9(14),10,12-hexaene-15-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

3271-0287

Molecular Formula

C24H21NO (C24 H21 NO)

Compound Name

N~15~-(4-methylphenyl)tetracyclo[6.6.2.0~2,7~.0~9,14~]hexadeca-2,4,6,9(14),10,12-hexaene-15-carboxamide

IUPAC name

N-(4-methylphenyl)tetracyclo[6.6.2.0^{27}.0^{914}]hexadeca-2469(14)1012-hexaene-15-carboxamide

SMILES

Cc(cc1)ccc1NC(C(CC1c2c3cccc2)C3c2c1cccc2)=O

InChI

InChI=1S/C24H21NO/c1-15-10-12-16(13-11-15)25-24(26)22-14-21-17-6-2-4-8-19(17)23(22)20-9-5-3-7-18(20)21/h2-13,21-23H,14H2,1H3,(H,25,26)/t21?,22-,23?/m0/s1

InChI Key

DWGGTKNHBCGNDN-KOENEWCDSA-N

MDL Number (MFCD)

MFCD00686302

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.44

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

5.299

Distribution Coefficient, logD

5.289

Water Solubility, LogSw

-5.26

Polar Surface Area

22.899

Acid Dissociation Constant (pKa)

9.04

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

3271-0287 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with 3271-0287 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 3271-0287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3271-0287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3271-0287
  • 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 3271-0287 available by request