V004-6057 Screening compound: 8-(2H-1,3-benzodioxole-5-carbonyl)-N-(butan-2-yl)-4-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

V004-6057 Screening compound: 8-(2H-1,3-benzodioxole-5-carbonyl)-N-(butan-2-yl)-4-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
V004-6057 Screening compound: 8-(2H-1,3-benzodioxole-5-carbonyl)-N-(butan-2-yl)-4-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-6057
8-(2H-1,3-benzodioxole-5-carbonyl)-N-(butan-2-yl)-4-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

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

V004-6057

Molecular Formula

C28H33N3O7 (C28 H33 N3 O7)

Compound Name

8-(2H-1,3-benzodioxole-5-carbonyl)-N-(butan-2-yl)-4-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

IUPAC name

8-(2H-13-benzodioxole-5-carbonyl)-N-(butan-2-yl)-4-(4-methoxybenzoyl)-1-oxa-48-diazaspiro[4.5]decane-3-carboxamide

SMILES

CCC(C)NC(C(COC1(CC2)CCN2C(c(cc2)cc3c2OCO3)=O)N1C(c(cc1)ccc1OC)=O)=O

InChI

InChI=1S/C28H33N3O7/c1-4-18(2)29-25(32)22-16-38-28(31(22)27(34)19-5-8-21(35-3)9-6-19)11-13-30(14-12-28)26(33)20-7-10-23-24(15-20)37-17-36-23/h5-10,15,18,22H,4,11-14,16-17H2,1-3H3,(H,29,32)

InChI Key

ORQFCRUHAXKKKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19806414

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.352

Distribution Coefficient, logD

2.352

Water Solubility, LogSw

-2.93

Polar Surface Area

88.368

Acid Dissociation Constant (pKa)

15.75

Base Dissociation Constant (pKb)

1.39

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

46.40

V004-6057 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V004-6057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-6057?
Check Price and Availability of V004-6057, 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 V004-6057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-6057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-6057
  • 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 V004-6057 available by request