D327-0053 Screening compound: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-1,6-dihydropyridazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

D327-0053 Screening compound: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-1,6-dihydropyridazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
D327-0053 Screening compound: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-1,6-dihydropyridazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D327-0053
2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-1,6-dihydropyridazin-1-yl]-N-[4-(trifluoromethoxy)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

D327-0053

Molecular Formula

C21H16F3N3O5 (C21 H16 F3 N3 O5)

Compound Name

2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-1,6-dihydropyridazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

IUPAC name

2-[3-(23-dihydro-14-benzodioxin-6-yl)-6-oxo-16-dihydropyridazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

SMILES

O=C(CN(C(C=C1)=O)N=C1c(cc1)cc2c1OCCO2)Nc(cc1)ccc1OC(F)(F)F

InChI

InChI=1S/C21H16F3N3O5/c22-21(23,24)32-15-4-2-14(3-5-15)25-19(28)12-27-20(29)8-6-16(26-27)13-1-7-17-18(11-13)31-10-9-30-17/h1-8,11H,9-10,12H2,(H,25,28)

InChI Key

PCBDHAYZHZZZPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819242

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.222

Distribution Coefficient, logD

3.222

Water Solubility, LogSw

-3.61

Polar Surface Area

73.457

Acid Dissociation Constant (pKa)

12.85

Base Dissociation Constant (pKb)

1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

D327-0053 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D327-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D327-0053?
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What is the minimum amount of D327-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D327-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D327-0053
  • 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 D327-0053 available by request