E017-0580 Screening compound: 1-{5-[2-(azepane-1-carbonyl)pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}pyrrolidin-2-one

E017-0580 Screening compound: 1-{5-[2-(azepane-1-carbonyl)pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}pyrrolidin-2-one
E017-0580 Screening compound: 1-{5-[2-(azepane-1-carbonyl)pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E017-0580
1-{5-[2-(azepane-1-carbonyl)pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}pyrrolidin-2-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

E017-0580

Molecular Formula

C17H25N5O2S (C17 H25 N5 O2 S)

Compound Name

1-{5-[2-(azepane-1-carbonyl)pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}pyrrolidin-2-one

IUPAC name

1-{5-[2-(azepane-1-carbonyl)pyrrolidin-1-yl]-134-thiadiazol-2-yl}pyrrolidin-2-one

SMILES

O=C(C(CCC1)N1c1nnc(N(CCC2)C2=O)s1)N1CCCCCC1

InChI

InChI=1S/C17H25N5O2S/c23-14-8-6-12-22(14)17-19-18-16(25-17)21-11-5-7-13(21)15(24)20-9-3-1-2-4-10-20/h13H,1-12H2/t13-/m0/s1

InChI Key

DZKVLMWFCFDOGI-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14839010

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.006

Distribution Coefficient, logD

2.006

Water Solubility, LogSw

-2.05

Polar Surface Area

60.681

Acid Dissociation Constant (pKa)

14.04

Base Dissociation Constant (pKb)

1.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

76.50

E017-0580 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

GPCR Targeted Library (31838 compounds)

PI3K-Targeted Library (17255 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • GPCR
  • Kinases
  • Others
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with E017-0580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E017-0580?
Check Price and Availability of E017-0580, 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 E017-0580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E017-0580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E017-0580
  • 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 E017-0580 available by request