P617-0574 Screening compound: 6-isopropyl-9-[(2-methylpiperidino)carbonyl]pyrido[2,3-b][1,5]benzothiazepin-5(6H)-one

P617-0574 Screening compound: 6-isopropyl-9-[(2-methylpiperidino)carbonyl]pyrido[2,3-b][1,5]benzothiazepin-5(6H)-one
P617-0574 Screening compound: 6-isopropyl-9-[(2-methylpiperidino)carbonyl]pyrido[2,3-b][1,5]benzothiazepin-5(6H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P617-0574
6-isopropyl-9-[(2-methylpiperidino)carbonyl]pyrido[2,3-b][1,5]benzothiazepin-5(6H)-one

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

P617-0574

Molecular Formula

C22H25N3O2S (C22 H25 N3 O2 S)

Compound Name

6-isopropyl-9-[(2-methylpiperidino)carbonyl]pyrido[2,3-b][1,5]benzothiazepin-5(6H)-one

IUPAC name

14-(2-methylpiperidine-1-carbonyl)-10-(propan-2-yl)-2-thia-410-diazatricyclo[9.4.0.0^{38}]pentadeca-1(15)3(8)461113-hexaen-9-one

SMILES

CC(C)N(c(ccc(C(N1C(C)CCCC1)=O)c1)c1Sc1ncccc11)C1=O

InChI

InChI=1S/C22H25N3O2S/c1-14(2)25-18-10-9-16(21(26)24-12-5-4-7-15(24)3)13-19(18)28-20-17(22(25)27)8-6-11-23-20/h6,8-11,13-15H,4-5,7,12H2,1-3H3/t15-/m0/s1

InChI Key

OMZJQDCXRCMVBM-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD29022195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.653

Distribution Coefficient, logD

3.653

Water Solubility, LogSw

-3.85

Polar Surface Area

42.378

Acid Dissociation Constant (pKa)

24.98

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

P617-0574 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with P617-0574 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P617-0574?
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What is the minimum amount of P617-0574 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P617-0574
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P617-0574
  • 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 P617-0574 available by request