7217-0086 Screening compound: 2-[(3,4-difluorophenyl)amino]-3-(morpholin-4-yl)-1,4-dihydronaphthalene-1,4-dione

7217-0086 Screening compound: 2-[(3,4-difluorophenyl)amino]-3-(morpholin-4-yl)-1,4-dihydronaphthalene-1,4-dione
7217-0086 Screening compound: 2-[(3,4-difluorophenyl)amino]-3-(morpholin-4-yl)-1,4-dihydronaphthalene-1,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 7217-0086
2-[(3,4-difluorophenyl)amino]-3-(morpholin-4-yl)-1,4-dihydronaphthalene-1,4-dione

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

7217-0086

Molecular Formula

C20H16F2N2O3 (C20 H16 F2 N2 O3)

Compound Name

2-[(3,4-difluorophenyl)amino]-3-(morpholin-4-yl)-1,4-dihydronaphthalene-1,4-dione

IUPAC name

2-[(34-difluorophenyl)amino]-3-(morpholin-4-yl)-14-dihydronaphthalene-14-dione

SMILES

O=C(c(cccc1)c1C1=O)C(Nc(cc2)cc(F)c2F)=C1N1CCOCC1

InChI

InChI=1S/C20H16F2N2O3/c21-15-6-5-12(11-16(15)22)23-17-18(24-7-9-27-10-8-24)20(26)14-4-2-1-3-13(14)19(17)25/h1-6,11,23H,7-10H2

InChI Key

CUAVEZVVHBUZSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02922101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.299

Distribution Coefficient, logD

1.001

Water Solubility, LogSw

-4.02

Polar Surface Area

46.843

Acid Dissociation Constant (pKa)

26.02

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

7217-0086 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7217-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7217-0086?
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What is the minimum amount of 7217-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7217-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7217-0086
  • 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 7217-0086 available by request