6016-3079 Screening compound: N-cyclohexyl-3-(1-oxo-4-phenyl-1,2-dihydrophthalazin-2-yl)propanamide

6016-3079 Screening compound: N-cyclohexyl-3-(1-oxo-4-phenyl-1,2-dihydrophthalazin-2-yl)propanamide
6016-3079 Screening compound: N-cyclohexyl-3-(1-oxo-4-phenyl-1,2-dihydrophthalazin-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6016-3079
N-cyclohexyl-3-(1-oxo-4-phenyl-1,2-dihydrophthalazin-2-yl)propanamide

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

6016-3079

Molecular Formula

C23H25N3O2 (C23 H25 N3 O2)

Compound Name

N-cyclohexyl-3-(1-oxo-4-phenyl-1,2-dihydrophthalazin-2-yl)propanamide

IUPAC name

N-cyclohexyl-3-(1-oxo-4-phenyl-12-dihydrophthalazin-2-yl)propanamide

SMILES

O=C(CCN1N=C(c2ccccc2)c(cccc2)c2C1=O)NC1CCCCC1

InChI

InChI=1S/C23H25N3O2/c27-21(24-18-11-5-2-6-12-18)15-16-26-23(28)20-14-8-7-13-19(20)22(25-26)17-9-3-1-4-10-17/h1,3-4,7-10,13-14,18H,2,5-6,11-12,15-16H2,(H,24,27)

InChI Key

LKXLMWBPWDOYDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04005154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.487

Distribution Coefficient, logD

3.487

Water Solubility, LogSw

-3.74

Polar Surface Area

51.370

Acid Dissociation Constant (pKa)

15.41

Base Dissociation Constant (pKb)

4.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

6016-3079 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cardiovascular

References: we are preparing a list of scientific research reports with 6016-3079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6016-3079?
Check Price and Availability of 6016-3079, 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 6016-3079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6016-3079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6016-3079
  • 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 6016-3079 available by request