Y041-6549 Screening compound: 11-(3-methoxybenzoyl)-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one

Y041-6549 Screening compound: 11-(3-methoxybenzoyl)-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one
Y041-6549 Screening compound: 11-(3-methoxybenzoyl)-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-6549
11-(3-methoxybenzoyl)-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one

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

Y041-6549

Molecular Formula

C19H20N2O3 (C19 H20 N2 O3)

Compound Name

11-(3-methoxybenzoyl)-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one

IUPAC name

11-(3-methoxybenzoyl)-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-6-one

SMILES

COc1cccc(C(N(CC(C2)CN34)CC2C4=CC=CC3=O)=O)c1

InChI

InChI=1S/C19H20N2O3/c1-24-16-5-2-4-14(9-16)19(23)20-10-13-8-15(12-20)17-6-3-7-18(22)21(17)11-13/h2-7,9,13,15H,8,10-12H2,1H3

InChI Key

BPHFMWMNFVTTMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10040972

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.324

Distribution Coefficient, logD

2.324

Water Solubility, LogSw

-2.59

Polar Surface Area

40.129

Acid Dissociation Constant (pKa)

25.11

Base Dissociation Constant (pKb)

-1.05

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.84

Y041-6549 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y041-6549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-6549?
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What is the minimum amount of Y041-6549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-6549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-6549
  • 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 Y041-6549 available by request