8017-8747 Screening compound: N~2~-(3-fluorophenyl)-1-[(4-methylphenyl)sulfanyl]-9,10-dioxo-9,10-dihydro-2-anthracenecarboxamide

8017-8747 Screening compound: N~2~-(3-fluorophenyl)-1-[(4-methylphenyl)sulfanyl]-9,10-dioxo-9,10-dihydro-2-anthracenecarboxamide
8017-8747 Screening compound: N~2~-(3-fluorophenyl)-1-[(4-methylphenyl)sulfanyl]-9,10-dioxo-9,10-dihydro-2-anthracenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-8747
N~2~-(3-fluorophenyl)-1-[(4-methylphenyl)sulfanyl]-9,10-dioxo-9,10-dihydro-2-anthracenecarboxamide

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

8017-8747

Molecular Formula

C28H18FNO3S (C28 H18 FNO3 S)

Compound Name

N~2~-(3-fluorophenyl)-1-[(4-methylphenyl)sulfanyl]-9,10-dioxo-9,10-dihydro-2-anthracenecarboxamide

IUPAC name

N-(3-fluorophenyl)-1-[(4-methylphenyl)sulfanyl]-910-dioxo-910-dihydroanthracene-2-carboxamide

SMILES

Cc(cc1)ccc1Sc(c(C(Nc1cc(F)ccc1)=O)ccc1C(c2c3cccc2)=O)c1C3=O

InChI

InChI=1S/C28H18FNO3S/c1-16-9-11-19(12-10-16)34-27-23(28(33)30-18-6-4-5-17(29)15-18)14-13-22-24(27)26(32)21-8-3-2-7-20(21)25(22)31/h2-15H,1H3,(H,30,33)

InChI Key

QPDGMYBZGUGSLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06618917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.242

Distribution Coefficient, logD

7.236

Water Solubility, LogSw

-5.85

Polar Surface Area

49.000

Acid Dissociation Constant (pKa)

9.29

Base Dissociation Constant (pKb)

-5.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.57

References: we are preparing a list of scientific research reports with 8017-8747 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-8747?
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What is the minimum amount of 8017-8747 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-8747
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-8747
  • 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 8017-8747 available by request