V004-7126 Screening compound: 4-(3-fluorobenzoyl)-8-(4-fluorobenzoyl)-3-(4-methylpiperazine-1-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane

V004-7126 Screening compound: 4-(3-fluorobenzoyl)-8-(4-fluorobenzoyl)-3-(4-methylpiperazine-1-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane
V004-7126 Screening compound: 4-(3-fluorobenzoyl)-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 V004-7126
4-(3-fluorobenzoyl)-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

V004-7126

Molecular Formula

C27H30F2N4O4 (C27 H30 F2 N4 O4)

Compound Name

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

IUPAC name

4-(3-fluorobenzoyl)-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(c1cccc(F)c1)=O)=O

InChI

InChI=1S/C27H30F2N4O4/c1-30-13-15-32(16-14-30)26(36)23-18-37-27(33(23)25(35)20-3-2-4-22(29)17-20)9-11-31(12-10-27)24(34)19-5-7-21(28)8-6-19/h2-8,17,23H,9-16,18H2,1H3/t23-/m0/s1

InChI Key

FOAAQAFBHBJGMS-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19811818

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

512.56

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

1.358

Distribution Coefficient, logD

1.164

Water Solubility, LogSw

-1.89

Polar Surface Area

59.707

Acid Dissociation Constant (pKa)

19.90

Base Dissociation Constant (pKb)

7.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

V004-7126 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with V004-7126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-7126?
Check Price and Availability of V004-7126, 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 V004-7126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-7126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-7126
  • 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 V004-7126 available by request