5754-2991 Screening compound: N~1~-{2-morpholino-5-[4-oxo-3-(2-oxo-2-piperidinoethyl)-3,4-dihydro-1-phthalazinyl]phenyl}acetamide

5754-2991 Screening compound: N~1~-{2-morpholino-5-[4-oxo-3-(2-oxo-2-piperidinoethyl)-3,4-dihydro-1-phthalazinyl]phenyl}acetamide
5754-2991 Screening compound: N~1~-{2-morpholino-5-[4-oxo-3-(2-oxo-2-piperidinoethyl)-3,4-dihydro-1-phthalazinyl]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5754-2991
N~1~-{2-morpholino-5-[4-oxo-3-(2-oxo-2-piperidinoethyl)-3,4-dihydro-1-phthalazinyl]phenyl}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

5754-2991

Molecular Formula

C27H31N5O4 (C27 H31 N5 O4)

Compound Name

N~1~-{2-morpholino-5-[4-oxo-3-(2-oxo-2-piperidinoethyl)-3,4-dihydro-1-phthalazinyl]phenyl}acetamide

IUPAC name

n/a

SMILES

CC(Nc(cc(cc1)C(c2c3cccc2)=NN(CC(N2CCCCC2)=O)C3=O)c1N1CCOCC1)=O

InChI

InChI=1S/C27H31N5O4/c1-19(33)28-23-17-20(9-10-24(23)30-13-15-36-16-14-30)26-21-7-3-4-8-22(21)27(35)32(29-26)18-25(34)31-11-5-2-6-12-31/h3-4,7-10,17H,2,5-6,11-16,18H2,1H3,(H,28,33)

InChI Key

ZNGOUZYTUNWIOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03995935

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.728

Distribution Coefficient, logD

1.728

Water Solubility, LogSw

-2.78

Polar Surface Area

77.212

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

5754-2991 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 5754-2991 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5754-2991?
Check Price and Availability of 5754-2991, 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 5754-2991 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5754-2991
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5754-2991
  • 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 5754-2991 available by request