P618-0484 Screening compound: N~1~-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2-(4-fluorophenyl)acetamide

P618-0484 Screening compound: N~1~-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2-(4-fluorophenyl)acetamide
P618-0484 Screening compound: N~1~-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P618-0484
N~1~-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2-(4-fluorophenyl)acetamide

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

P618-0484

Molecular Formula

C23H20FN3O2S (C23 H20 FN3 O2 S)

Compound Name

N~1~-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2-(4-fluorophenyl)acetamide

IUPAC name

N-({10-ethyl-9-oxo-2-thia-410-diazatricyclo[9.4.0.0^{38}]pentadeca-1(15)3(8)461113-hexaen-14-yl}methyl)-2-(4-fluorophenyl)acetamide

SMILES

CCN(c(ccc(CNC(Cc(cc1)ccc1F)=O)c1)c1Sc1ncccc11)C1=O

InChI

InChI=1S/C23H20FN3O2S/c1-2-27-19-10-7-16(14-26-21(28)13-15-5-8-17(24)9-6-15)12-20(19)30-22-18(23(27)29)4-3-11-25-22/h3-12H,2,13-14H2,1H3,(H,26,28)

InChI Key

FBCKWASNLNNSHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27606874

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.436

Distribution Coefficient, logD

3.436

Water Solubility, LogSw

-3.84

Polar Surface Area

50.649

Acid Dissociation Constant (pKa)

13.45

Base Dissociation Constant (pKb)

0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

P618-0484 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with P618-0484 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P618-0484?
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What is the minimum amount of P618-0484 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P618-0484
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P618-0484
  • 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 P618-0484 available by request