V028-0453 Screening compound: 8-cyclobutanecarbonyl-4-(4-methoxybenzoyl)-3-(pyrrolidine-1-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane

V028-0453 Screening compound: 8-cyclobutanecarbonyl-4-(4-methoxybenzoyl)-3-(pyrrolidine-1-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane
V028-0453 Screening compound: 8-cyclobutanecarbonyl-4-(4-methoxybenzoyl)-3-(pyrrolidine-1-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-0453
8-cyclobutanecarbonyl-4-(4-methoxybenzoyl)-3-(pyrrolidine-1-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane

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

V028-0453

Molecular Formula

C25H33N3O5 (C25 H33 N3 O5)

Compound Name

8-cyclobutanecarbonyl-4-(4-methoxybenzoyl)-3-(pyrrolidine-1-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane

IUPAC name

8-cyclobutanecarbonyl-4-(4-methoxybenzoyl)-3-(pyrrolidine-1-carbonyl)-1-oxa-48-diazaspiro[4.5]decane

SMILES

COc(cc1)ccc1C(N1C(CC2)(CCN2C(C2CCC2)=O)OCC1C(N1CCCC1)=O)=O

InChI

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

InChI Key

SRXNWGOJDCNVRZ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD19809168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.555

Distribution Coefficient, logD

1.555

Water Solubility, LogSw

-1.88

Polar Surface Area

64.663

Acid Dissociation Constant (pKa)

20.29

Base Dissociation Constant (pKb)

4.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

64.00

V028-0453 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V028-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-0453?
Check Price and Availability of V028-0453, 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 V028-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-0453
  • 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 V028-0453 available by request