P617-0580 Screening compound: 9-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-6-isopropylpyrido[2,3-b][1,5]benzothiazepin-5(6H)-one

P617-0580 Screening compound: 9-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-6-isopropylpyrido[2,3-b][1,5]benzothiazepin-5(6H)-one
P617-0580 Screening compound: 9-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-6-isopropylpyrido[2,3-b][1,5]benzothiazepin-5(6H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P617-0580
9-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-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

P617-0580

Molecular Formula

C23H25N3O4S (C23 H25 N3 O4 S)

Compound Name

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

IUPAC name

14-{14-dioxa-8-azaspiro[4.5]decane-8-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(N(CC1)CCC11OCCO1)=O)c1)c1Sc1ncccc11)C1=O

InChI

InChI=1S/C23H25N3O4S/c1-15(2)26-18-6-5-16(14-19(18)31-20-17(22(26)28)4-3-9-24-20)21(27)25-10-7-23(8-11-25)29-12-13-30-23/h3-6,9,14-15H,7-8,10-13H2,1-2H3

InChI Key

HVBZFHYNDQWIJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29022198

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.54

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

2.253

Distribution Coefficient, logD

2.253

Water Solubility, LogSw

-2.90

Polar Surface Area

57.530

Acid Dissociation Constant (pKa)

24.98

Base Dissociation Constant (pKb)

-0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

P617-0580 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with P617-0580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P617-0580?
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What is the minimum amount of P617-0580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P617-0580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P617-0580
  • 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 P617-0580 available by request