P617-0611 Screening compound: 9-[(4-allylpiperazino)carbonyl]-6-isopropylpyrido[2,3-b][1,5]benzothiazepin-5(6H)-one

P617-0611 Screening compound: 9-[(4-allylpiperazino)carbonyl]-6-isopropylpyrido[2,3-b][1,5]benzothiazepin-5(6H)-one
P617-0611 Screening compound: 9-[(4-allylpiperazino)carbonyl]-6-isopropylpyrido[2,3-b][1,5]benzothiazepin-5(6H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P617-0611
9-[(4-allylpiperazino)carbonyl]-6-isopropylpyrido[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

P617-0611

Molecular Formula

C23H26N4O2S (C23 H26 N4 O2 S)

Compound Name

9-[(4-allylpiperazino)carbonyl]-6-isopropylpyrido[2,3-b][1,5]benzothiazepin-5(6H)-one

IUPAC name

14-[4-(prop-2-en-1-yl)piperazine-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(N1CCN(CC=C)CC1)=O)c1)c1Sc1ncccc11)C1=O

InChI

InChI=1S/C23H26N4O2S/c1-4-10-25-11-13-26(14-12-25)22(28)17-7-8-19-20(15-17)30-21-18(6-5-9-24-21)23(29)27(19)16(2)3/h4-9,15-16H,1,10-14H2,2-3H3

InChI Key

PPJKQQQDSQFPLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29022217

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.610

Distribution Coefficient, logD

2.569

Water Solubility, LogSw

-3.19

Polar Surface Area

46.884

Acid Dissociation Constant (pKa)

24.98

Base Dissociation Constant (pKb)

6.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.78

P617-0611 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 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 P617-0611 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P617-0611?
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What is the minimum amount of P617-0611 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P617-0611
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P617-0611
  • 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 P617-0611 available by request