V029-0003 Screening compound: 4-benzoyl-8-(4-fluorobenzoyl)-3-(4-methylpiperazine-1-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane

V029-0003 Screening compound: 4-benzoyl-8-(4-fluorobenzoyl)-3-(4-methylpiperazine-1-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane
V029-0003 Screening compound: 4-benzoyl-8-(4-fluorobenzoyl)-3-(4-methylpiperazine-1-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-0003
4-benzoyl-8-(4-fluorobenzoyl)-3-(4-methylpiperazine-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

V029-0003

Molecular Formula

C27H31FN4O4 (C27 H31 FN4 O4)

Compound Name

4-benzoyl-8-(4-fluorobenzoyl)-3-(4-methylpiperazine-1-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane

IUPAC name

4-benzoyl-8-(4-fluorobenzoyl)-3-(4-methylpiperazine-1-carbonyl)-1-oxa-48-diazaspiro[4.5]decane

SMILES

CN(CC1)CCN1C(C(COC1(CC2)CCN2C(c(cc2)ccc2F)=O)N1C(c1ccccc1)=O)=O

InChI

InChI=1S/C27H31FN4O4/c1-29-15-17-31(18-16-29)26(35)23-19-36-27(32(23)25(34)20-5-3-2-4-6-20)11-13-30(14-12-27)24(33)21-7-9-22(28)10-8-21/h2-10,23H,11-19H2,1H3/t23-/m1/s1

InChI Key

AXSMGPOTDYLFKI-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD19774416

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

494.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.214

Distribution Coefficient, logD

1.020

Water Solubility, LogSw

-1.74

Polar Surface Area

59.707

Acid Dissociation Constant (pKa)

20.29

Base Dissociation Constant (pKb)

7.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

References: we are preparing a list of scientific research reports with V029-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-0003?
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What is the minimum amount of V029-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-0003
  • 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 V029-0003 available by request