8018-7277 Screening compound: N-[2-(2,6-dimethylphenoxy)ethyl]-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide

8018-7277 Screening compound: N-[2-(2,6-dimethylphenoxy)ethyl]-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide
8018-7277 Screening compound: N-[2-(2,6-dimethylphenoxy)ethyl]-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-7277
N-[2-(2,6-dimethylphenoxy)ethyl]-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide

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

8018-7277

Molecular Formula

C20H21N3O3 (C20 H21 N3 O3)

Compound Name

N-[2-(2,6-dimethylphenoxy)ethyl]-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide

IUPAC name

N-[2-(26-dimethylphenoxy)ethyl]-3-methyl-4-oxo-34-dihydrophthalazine-1-carboxamide

SMILES

Cc1cccc(C)c1OCCNC(C(c1c2cccc1)=NN(C)C2=O)=O

InChI

InChI=1S/C20H21N3O3/c1-13-7-6-8-14(2)18(13)26-12-11-21-19(24)17-15-9-4-5-10-16(15)20(25)23(3)22-17/h4-10H,11-12H2,1-3H3,(H,21,24)

InChI Key

ULNQCAAIICIAIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08142778

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.819

Distribution Coefficient, logD

2.819

Water Solubility, LogSw

-3.35

Polar Surface Area

59.263

Acid Dissociation Constant (pKa)

11.97

Base Dissociation Constant (pKb)

1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8018-7277 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8018-7277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-7277?
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What is the minimum amount of 8018-7277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-7277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-7277
  • 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 8018-7277 available by request