P617-0475 Screening compound: 2-{4-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)carbonyl]piperazino}ethyl cyanide

P617-0475 Screening compound: 2-{4-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)carbonyl]piperazino}ethyl cyanide
P617-0475 Screening compound: 2-{4-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)carbonyl]piperazino}ethyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound P617-0475
2-{4-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)carbonyl]piperazino}ethyl cyanide

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

P617-0475

Molecular Formula

C22H23N5O2S (C22 H23 N5 O2 S)

Compound Name

2-{4-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)carbonyl]piperazino}ethyl cyanide

IUPAC name

3-(4-{10-ethyl-9-oxo-2-thia-410-diazatricyclo[9.4.0.0^{38}]pentadeca-1(15)3(8)461113-hexaene-14-carbonyl}piperazin-1-yl)propanenitrile

SMILES

CCN(c(ccc(C(N1CCN(CCC#N)CC1)=O)c1)c1Sc1ncccc11)C1=O

InChI

InChI=1S/C22H23N5O2S/c1-2-27-18-7-6-16(21(28)26-13-11-25(12-14-26)10-4-8-23)15-19(18)30-20-17(22(27)29)5-3-9-24-20/h3,5-7,9,15H,2,4,10-14H2,1H3

InChI Key

VBAONAPTRUJVEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29022142

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.420

Distribution Coefficient, logD

1.420

Water Solubility, LogSw

-2.30

Polar Surface Area

64.380

Acid Dissociation Constant (pKa)

22.02

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

P617-0475 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P617-0475 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P617-0475?
Check Price and Availability of P617-0475, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of P617-0475 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P617-0475
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P617-0475
  • 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 P617-0475 available by request