V029-3702 Screening compound: 8-(2H-1,3-benzodioxole-5-carbonyl)-4-(4-methoxybenzoyl)-N-[(pyridin-3-yl)methyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

V029-3702 Screening compound: 8-(2H-1,3-benzodioxole-5-carbonyl)-4-(4-methoxybenzoyl)-N-[(pyridin-3-yl)methyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
V029-3702 Screening compound: 8-(2H-1,3-benzodioxole-5-carbonyl)-4-(4-methoxybenzoyl)-N-[(pyridin-3-yl)methyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-3702
8-(2H-1,3-benzodioxole-5-carbonyl)-4-(4-methoxybenzoyl)-N-[(pyridin-3-yl)methyl]-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

V029-3702

Molecular Formula

C30H30N4O7 (C30 H30 N4 O7)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1C(N1C(CC2)(CCN2C(c(cc2)cc3c2OCO3)=O)OCC1C(NCc1cnccc1)=O)=O

InChI

InChI=1S/C30H30N4O7/c1-38-23-7-4-21(5-8-23)29(37)34-24(27(35)32-17-20-3-2-12-31-16-20)18-41-30(34)10-13-33(14-11-30)28(36)22-6-9-25-26(15-22)40-19-39-25/h2-9,12,15-16,24H,10-11,13-14,17-19H2,1H3,(H,32,35)/t24-/m1/s1

InChI Key

AZYDQYUOJMBLMD-XMMPIXPASA-N

MDL Number (MFCD)

MFCD19809424

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

558.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.328

Distribution Coefficient, logD

1.325

Water Solubility, LogSw

-1.35

Polar Surface Area

98.172

Acid Dissociation Constant (pKa)

13.81

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

V029-3702 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 V029-3702 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-3702?
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What is the minimum amount of V029-3702 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-3702
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-3702
  • 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 V029-3702 available by request