8018-7130 Screening compound: N-(3,4-dimethoxyphenyl)-9,10-dioxo-1-(2,2,2-trifluoroethoxy)-9,10-dihydroanthracene-2-carboxamide

8018-7130 Screening compound: N-(3,4-dimethoxyphenyl)-9,10-dioxo-1-(2,2,2-trifluoroethoxy)-9,10-dihydroanthracene-2-carboxamide
8018-7130 Screening compound: N-(3,4-dimethoxyphenyl)-9,10-dioxo-1-(2,2,2-trifluoroethoxy)-9,10-dihydroanthracene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-7130
N-(3,4-dimethoxyphenyl)-9,10-dioxo-1-(2,2,2-trifluoroethoxy)-9,10-dihydroanthracene-2-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

8018-7130

Molecular Formula

C25H18F3NO6 (C25 H18 F3 NO6)

Compound Name

N-(3,4-dimethoxyphenyl)-9,10-dioxo-1-(2,2,2-trifluoroethoxy)-9,10-dihydroanthracene-2-carboxamide

IUPAC name

N-(34-dimethoxyphenyl)-910-dioxo-1-(222-trifluoroethoxy)-910-dihydroanthracene-2-carboxamide

SMILES

COc(ccc(NC(c(c(OCC(F)(F)F)c1C(c2c3cccc2)=O)ccc1C3=O)=O)c1)c1OC

InChI

InChI=1S/C25H18F3NO6/c1-33-18-10-7-13(11-19(18)34-2)29-24(32)17-9-8-16-20(23(17)35-12-25(26,27)28)22(31)15-6-4-3-5-14(15)21(16)30/h3-11H,12H2,1-2H3,(H,29,32)

InChI Key

LFHUSVSBFUGKCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08142655

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.086

Distribution Coefficient, logD

4.955

Water Solubility, LogSw

-5.00

Polar Surface Area

72.205

Acid Dissociation Constant (pKa)

7.85

Base Dissociation Constant (pKb)

-2.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

8018-7130 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8018-7130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-7130?
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What is the minimum amount of 8018-7130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-7130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-7130
  • 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 8018-7130 available by request