6016-3105 Screening compound: 2-(4-METHYL-1-OXO-1,2-DIHYDROPHTHALAZIN-2-YL)-N-[2-(MORPHOLIN-4-YL)ETHYL]ACETAMIDE

6016-3105 Screening compound: 2-(4-METHYL-1-OXO-1,2-DIHYDROPHTHALAZIN-2-YL)-N-[2-(MORPHOLIN-4-YL)ETHYL]ACETAMIDE
6016-3105 Screening compound: 2-(4-METHYL-1-OXO-1,2-DIHYDROPHTHALAZIN-2-YL)-N-[2-(MORPHOLIN-4-YL)ETHYL]ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound 6016-3105
2-(4-METHYL-1-OXO-1,2-DIHYDROPHTHALAZIN-2-YL)-N-[2-(MORPHOLIN-4-YL)ETHYL]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

6016-3105

Molecular Formula

C17H22N4O3 (C17 H22 N4 O3)

Compound Name

2-(4-METHYL-1-OXO-1,2-DIHYDROPHTHALAZIN-2-YL)-N-[2-(MORPHOLIN-4-YL)ETHYL]ACETAMIDE

IUPAC name

n/a

SMILES

CC(c1c2cccc1)=NN(CC(NCCN1CCOCC1)=O)C2=O

InChI

InChI=1S/C17H22N4O3/c1-13-14-4-2-3-5-15(14)17(23)21(19-13)12-16(22)18-6-7-20-8-10-24-11-9-20/h2-5H,6-12H2,1H3,(H,18,22)

InChI Key

QAJDZYOJTOABQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04004587

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.39

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

-0.073

Distribution Coefficient, logD

-0.120

Water Solubility, LogSw

-2.21

Polar Surface Area

62.844

Acid Dissociation Constant (pKa)

14.41

Base Dissociation Constant (pKb)

6.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

6016-3105 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 6016-3105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6016-3105?
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What is the minimum amount of 6016-3105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6016-3105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6016-3105
  • 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 6016-3105 available by request