P617-0669 Screening compound: 6-cyclopropyl-9-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)pyrido[2,3-b][1,5]benzothiazepin-5(6H)-one

P617-0669 Screening compound: 6-cyclopropyl-9-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)pyrido[2,3-b][1,5]benzothiazepin-5(6H)-one
P617-0669 Screening compound: 6-cyclopropyl-9-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)pyrido[2,3-b][1,5]benzothiazepin-5(6H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P617-0669
6-cyclopropyl-9-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)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

P617-0669

Molecular Formula

C23H23N3O4S (C23 H23 N3 O4 S)

Compound Name

6-cyclopropyl-9-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)pyrido[2,3-b][1,5]benzothiazepin-5(6H)-one

IUPAC name

10-cyclopropyl-14-{14-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-2-thia-410-diazatricyclo[9.4.0.0^{38}]pentadeca-1(15)3(8)461113-hexaen-9-one

SMILES

O=C(c(cc1)cc(Sc2ncccc22)c1N(C1CC1)C2=O)N(CC1)CCC11OCCO1

InChI

InChI=1S/C23H23N3O4S/c27-21(25-10-7-23(8-11-25)29-12-13-30-23)15-3-6-18-19(14-15)31-20-17(2-1-9-24-20)22(28)26(18)16-4-5-16/h1-3,6,9,14,16H,4-5,7-8,10-13H2

InChI Key

OAYOJAZMXWVNMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29022113

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.033

Distribution Coefficient, logD

2.033

Water Solubility, LogSw

-2.83

Polar Surface Area

57.091

Acid Dissociation Constant (pKa)

24.98

Base Dissociation Constant (pKb)

-0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

P617-0669 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P617-0669 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P617-0669?
Check Price and Availability of P617-0669, 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 P617-0669 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P617-0669
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P617-0669
  • 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 P617-0669 available by request