7217-0088 Screening compound: 2-[(3,4-difluorophenyl)amino]-3-(4-methylpiperazin-1-yl)-1,4-dihydronaphthalene-1,4-dione

7217-0088 Screening compound: 2-[(3,4-difluorophenyl)amino]-3-(4-methylpiperazin-1-yl)-1,4-dihydronaphthalene-1,4-dione
7217-0088 Screening compound: 2-[(3,4-difluorophenyl)amino]-3-(4-methylpiperazin-1-yl)-1,4-dihydronaphthalene-1,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 7217-0088
2-[(3,4-difluorophenyl)amino]-3-(4-methylpiperazin-1-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

7217-0088

Molecular Formula

C21H19F2N3O2 (C21 H19 F2 N3 O2)

Compound Name

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

IUPAC name

2-[(34-difluorophenyl)amino]-3-(4-methylpiperazin-1-yl)-14-dihydronaphthalene-14-dione

SMILES

CN(CC1)CCN1C(C(c(cccc1)c1C1=O)=O)=C1Nc(cc1)cc(F)c1F

InChI

InChI=1S/C21H19F2N3O2/c1-25-8-10-26(11-9-25)19-18(24-13-6-7-16(22)17(23)12-13)20(27)14-4-2-3-5-15(14)21(19)28/h2-7,12,24H,8-11H2,1H3

InChI Key

UNHXGPRWIAUMOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14712391

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.4

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

3.276

Distribution Coefficient, logD

0.978

Water Solubility, LogSw

-3.96

Polar Surface Area

42.411

Acid Dissociation Constant (pKa)

5.10

Base Dissociation Constant (pKb)

6.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

7217-0088 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7217-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7217-0088?
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What is the minimum amount of 7217-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7217-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7217-0088
  • 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 7217-0088 available by request