D753-0060 Screening compound: N-{trans-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide

D753-0060 Screening compound: N-{trans-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide
D753-0060 Screening compound: N-{trans-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D753-0060
N-{trans-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide

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

D753-0060

Molecular Formula

C26H32N4O3 (C26 H32 N4 O3)

Compound Name

N-{trans-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide

IUPAC name

2-{3-oxo-2H3H5H6H7H8H9H-cyclohepta[c]pyridazin-2-yl}-N-[(1r4r)-4-[(1-oxo-23-dihydro-1H-isoindol-2-yl)methyl]cyclohexyl]acetamide

SMILES

O=C(CN1N=C(CCCCC2)C2=CC1=O)N[C@H]1CC[C@H](CN(Cc2c3cccc2)C3=O)CC1

InChI

InChI=1S/C26H32N4O3/c31-24(17-30-25(32)14-19-6-2-1-3-9-23(19)28-30)27-21-12-10-18(11-13-21)15-29-16-20-7-4-5-8-22(20)26(29)33/h4-5,7-8,14,18,21H,1-3,6,9-13,15-17H2,(H,27,31)

InChI Key

XFEDJTAQJORGAF-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.864

Distribution Coefficient, logD

2.864

Water Solubility, LogSw

-3.57

Polar Surface Area

69.407

Acid Dissociation Constant (pKa)

16.04

Base Dissociation Constant (pKb)

0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.85

D753-0060 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D753-0060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D753-0060?
Check Price and Availability of D753-0060, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D753-0060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D753-0060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D753-0060
  • 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 D753-0060 available by request