V030-5129 Screening compound: 8-(4-fluorobenzoyl)-4-(4-methoxybenzoyl)-N-(2-methylpropyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

V030-5129 Screening compound: 8-(4-fluorobenzoyl)-4-(4-methoxybenzoyl)-N-(2-methylpropyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
V030-5129 Screening compound: 8-(4-fluorobenzoyl)-4-(4-methoxybenzoyl)-N-(2-methylpropyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-5129
8-(4-fluorobenzoyl)-4-(4-methoxybenzoyl)-N-(2-methylpropyl)-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

V030-5129

Molecular Formula

C27H32FN3O5 (C27 H32 FN3 O5)

Compound Name

8-(4-fluorobenzoyl)-4-(4-methoxybenzoyl)-N-(2-methylpropyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

IUPAC name

8-(4-fluorobenzoyl)-4-(4-methoxybenzoyl)-N-(2-methylpropyl)-1-oxa-48-diazaspiro[4.5]decane-3-carboxamide

SMILES

CC(C)CNC(C(COC1(CC2)CCN2C(c(cc2)ccc2F)=O)N1C(c(cc1)ccc1OC)=O)=O

InChI

InChI=1S/C27H32FN3O5/c1-18(2)16-29-24(32)23-17-36-27(31(23)26(34)20-6-10-22(35-3)11-7-20)12-14-30(15-13-27)25(33)19-4-8-21(28)9-5-19/h4-11,18,23H,12-17H2,1-3H3,(H,29,32)/t23-/m1/s1

InChI Key

SGKZNKRIHCQGPI-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD19809162

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.657

Distribution Coefficient, logD

2.657

Water Solubility, LogSw

-2.90

Polar Surface Area

71.811

Acid Dissociation Constant (pKa)

15.93

Base Dissociation Constant (pKb)

3.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

V030-5129 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with V030-5129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-5129?
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What is the minimum amount of V030-5129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-5129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-5129
  • 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 V030-5129 available by request