P617-0546 Screening compound: 9-oxo-10-(propan-2-yl)-N-propyl-2-thia-4,10-diazatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3(8),4,6,12,14-hexaene-14-carboxamide

P617-0546 Screening compound: 9-oxo-10-(propan-2-yl)-N-propyl-2-thia-4,10-diazatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3(8),4,6,12,14-hexaene-14-carboxamide
P617-0546 Screening compound: 9-oxo-10-(propan-2-yl)-N-propyl-2-thia-4,10-diazatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3(8),4,6,12,14-hexaene-14-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P617-0546
9-oxo-10-(propan-2-yl)-N-propyl-2-thia-4,10-diazatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3(8),4,6,12,14-hexaene-14-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

P617-0546

Molecular Formula

C19H21N3O2S (C19 H21 N3 O2 S)

Compound Name

9-oxo-10-(propan-2-yl)-N-propyl-2-thia-4,10-diazatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3(8),4,6,12,14-hexaene-14-carboxamide

IUPAC name

n/a

SMILES

CCCNC(c(cc1)cc(Sc2ncccc22)c1N(C(C)C)C2=O)=O

InChI

InChI=1S/C19H21N3O2S/c1-4-9-20-17(23)13-7-8-15-16(11-13)25-18-14(6-5-10-21-18)19(24)22(15)12(2)3/h5-8,10-12H,4,9H2,1-3H3,(H,20,23)

InChI Key

IBNZEEKTHVEZSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29022177

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.086

Distribution Coefficient, logD

3.086

Water Solubility, LogSw

-3.58

Polar Surface Area

50.972

Acid Dissociation Constant (pKa)

13.97

Base Dissociation Constant (pKb)

-0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

P617-0546 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Library (67538 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with P617-0546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P617-0546?
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What is the minimum amount of P617-0546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P617-0546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P617-0546
  • 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 P617-0546 available by request