V004-8297 Screening compound: 3-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)-N-benzyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide

V004-8297 Screening compound: 3-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)-N-benzyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
V004-8297 Screening compound: 3-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)-N-benzyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-8297
3-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)-N-benzyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-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

V004-8297

Molecular Formula

C31H33N5O5 (C31 H33 N5 O5)

Compound Name

3-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)-N-benzyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide

IUPAC name

3-({[(2H-13-benzodioxol-5-yl)methyl]carbamoyl}methyl)-N-benzyl-4-oxo-1-phenyl-138-triazaspiro[4.5]decane-8-carboxamide

SMILES

O=C(CN(CN(C1(CC2)CCN2C(NCc2ccccc2)=O)c2ccccc2)C1=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C31H33N5O5/c37-28(32-19-24-11-12-26-27(17-24)41-22-40-26)20-35-21-36(25-9-5-2-6-10-25)31(29(35)38)13-15-34(16-14-31)30(39)33-18-23-7-3-1-4-8-23/h1-12,17H,13-16,18-22H2,(H,32,37)(H,33,39)

InChI Key

NVDCLZWVGNZHTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19734288

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

555.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.350

Distribution Coefficient, logD

3.350

Water Solubility, LogSw

-3.50

Polar Surface Area

88.634

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

5.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.26

V004-8297 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V004-8297 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-8297?
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What is the minimum amount of V004-8297 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-8297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-8297
  • 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 V004-8297 available by request