8015-8377 Screening compound: N~2~-(4-fluorophenyl)-1-(octylsulfonyl)-9,10-dioxo-9,10-dihydro-2-anthracenecarboxamide

8015-8377 Screening compound: N~2~-(4-fluorophenyl)-1-(octylsulfonyl)-9,10-dioxo-9,10-dihydro-2-anthracenecarboxamide
8015-8377 Screening compound: N~2~-(4-fluorophenyl)-1-(octylsulfonyl)-9,10-dioxo-9,10-dihydro-2-anthracenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-8377
N~2~-(4-fluorophenyl)-1-(octylsulfonyl)-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

8015-8377

Molecular Formula

C29H28FNO5S (C29 H28 FNO5 S)

Compound Name

N~2~-(4-fluorophenyl)-1-(octylsulfonyl)-9,10-dioxo-9,10-dihydro-2-anthracenecarboxamide

IUPAC name

N-(4-fluorophenyl)-1-(octane-1-sulfonyl)-910-dioxo-910-dihydroanthracene-2-carboxamide

SMILES

CCCCCCCCS(c(c(C(Nc(cc1)ccc1F)=O)ccc1C(c2c3cccc2)=O)c1C3=O)(=O)=O

InChI

InChI=1S/C29H28FNO5S/c1-2-3-4-5-6-9-18-37(35,36)28-24(29(34)31-20-14-12-19(30)13-15-20)17-16-23-25(28)27(33)22-11-8-7-10-21(22)26(23)32/h7-8,10-17H,2-6,9,18H2,1H3,(H,31,34)

InChI Key

XUJYWMCEGNKLBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05258749

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.298

Distribution Coefficient, logD

7.110

Water Solubility, LogSw

-5.90

Polar Surface Area

78.308

Acid Dissociation Constant (pKa)

7.67

Base Dissociation Constant (pKb)

-5.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.59

8015-8377 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8015-8377 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-8377?
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What is the minimum amount of 8015-8377 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-8377
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-8377
  • 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 8015-8377 available by request