8017-1402 Screening compound: ethyl 4-{3-[4-(azepane-1-carbonyl)piperidin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoate

8017-1402 Screening compound: ethyl 4-{3-[4-(azepane-1-carbonyl)piperidin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoate
8017-1402 Screening compound: ethyl 4-{3-[4-(azepane-1-carbonyl)piperidin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-1402
ethyl 4-{3-[4-(azepane-1-carbonyl)piperidin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoate

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

8017-1402

Molecular Formula

C25H33N3O5 (C25 H33 N3 O5)

Compound Name

ethyl 4-{3-[4-(azepane-1-carbonyl)piperidin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoate

IUPAC name

ethyl 4-{3-[4-(azepane-1-carbonyl)piperidin-1-yl]-25-dioxopyrrolidin-1-yl}benzoate

SMILES

CCOC(c(cc1)ccc1N(C(CC1N(CC2)CCC2C(N2CCCCCC2)=O)=O)C1=O)=O

InChI

InChI=1S/C25H33N3O5/c1-2-33-25(32)19-7-9-20(10-8-19)28-22(29)17-21(24(28)31)26-15-11-18(12-16-26)23(30)27-13-5-3-4-6-14-27/h7-10,18,21H,2-6,11-17H2,1H3/t21-/m0/s1

InChI Key

OMQUGRLLKIBJGY-NRFANRHFSA-N

MDL Number (MFCD)

MFCD06014402

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.203

Distribution Coefficient, logD

2.199

Water Solubility, LogSw

-2.43

Polar Surface Area

69.721

Acid Dissociation Constant (pKa)

17.30

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

8017-1402 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

GPCR Targeted Library (31838 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • Proteases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8017-1402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-1402?
Check Price and Availability of 8017-1402, 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 8017-1402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-1402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-1402
  • 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 8017-1402 available by request