E975-1588 Screening compound: 7-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one

E975-1588 Screening compound: 7-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one
E975-1588 Screening compound: 7-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E975-1588
7-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-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

E975-1588

Molecular Formula

C16H20N2O5S2 (C16 H20 N2 O5 S2)

Compound Name

7-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one

IUPAC name

7-{14-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-2345-tetrahydro-15-benzothiazepin-4-one

SMILES

O=C1Nc(cc(cc2)S(N(CC3)CCC33OCCO3)(=O)=O)c2SCC1

InChI

InChI=1S/C16H20N2O5S2/c19-15-3-10-24-14-2-1-12(11-13(14)17-15)25(20,21)18-6-4-16(5-7-18)22-8-9-23-16/h1-2,11H,3-10H2,(H,17,19)

InChI Key

HMTCJSVPOHPQAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14934363

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.298

Distribution Coefficient, logD

1.298

Water Solubility, LogSw

-2.47

Polar Surface Area

71.538

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

-3.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

E975-1588 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • GPCR
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E975-1588 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E975-1588?
Check Price and Availability of E975-1588, 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 E975-1588 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E975-1588
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E975-1588
  • 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 E975-1588 available by request