3271-0286 Screening compound: N~15~-(4-chlorophenyl)tetracyclo[6.6.2.0~2,7~.0~9,14~]hexadeca-2,4,6,9(14),10,12-hexaene-15-carboxamide

3271-0286 Screening compound: N~15~-(4-chlorophenyl)tetracyclo[6.6.2.0~2,7~.0~9,14~]hexadeca-2,4,6,9(14),10,12-hexaene-15-carboxamide
3271-0286 Screening compound: N~15~-(4-chlorophenyl)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 3271-0286
N~15~-(4-chlorophenyl)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

3271-0286

Molecular Formula

C23H18ClNO (C23 H18 ClNO)

Compound Name

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

SMILES

O=C(C(CC1c2c3cccc2)C3c2c1cccc2)Nc(cc1)ccc1Cl

InChI

InChI=1S/C23H18ClNO/c24-14-9-11-15(12-10-14)25-23(26)21-13-20-16-5-1-3-7-18(16)22(21)19-8-4-2-6-17(19)20/h1-12,20-22H,13H2,(H,25,26)/t20?,21-,22?/m0/s1

InChI Key

FWQPVQKVNMEGDR-ORFBVSJDSA-N

MDL Number (MFCD)

MFCD00686300

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.85

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

5.470

Distribution Coefficient, logD

5.150

Water Solubility, LogSw

-6.05

Polar Surface Area

22.899

Acid Dissociation Constant (pKa)

7.36

Base Dissociation Constant (pKb)

-1.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

3271-0286 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3271-0286 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 3271-0286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3271-0286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3271-0286
  • 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 3271-0286 available by request