V027-6456 Screening compound: 4-(3-fluorobenzoyl)-8-(2-methylbenzoyl)-3-(4-methylpiperazine-1-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane

V027-6456 Screening compound: 4-(3-fluorobenzoyl)-8-(2-methylbenzoyl)-3-(4-methylpiperazine-1-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane
V027-6456 Screening compound: 4-(3-fluorobenzoyl)-8-(2-methylbenzoyl)-3-(4-methylpiperazine-1-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-6456
4-(3-fluorobenzoyl)-8-(2-methylbenzoyl)-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

V027-6456

Molecular Formula

C28H33FN4O4 (C28 H33 FN4 O4)

Compound Name

4-(3-fluorobenzoyl)-8-(2-methylbenzoyl)-3-(4-methylpiperazine-1-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane

IUPAC name

4-(3-fluorobenzoyl)-8-(2-methylbenzoyl)-3-(4-methylpiperazine-1-carbonyl)-1-oxa-48-diazaspiro[4.5]decane

SMILES

Cc(cccc1)c1C(N(CC1)CCC11OCC(C(N2CCN(C)CC2)=O)N1C(c1cccc(F)c1)=O)=O

InChI

InChI=1S/C28H33FN4O4/c1-20-6-3-4-9-23(20)26(35)31-12-10-28(11-13-31)33(25(34)21-7-5-8-22(29)18-21)24(19-37-28)27(36)32-16-14-30(2)15-17-32/h3-9,18,24H,10-17,19H2,1-2H3/t24-/m0/s1

InChI Key

DFDYJFWXAZJHEZ-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19811998

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

508.59

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

1.720

Distribution Coefficient, logD

1.526

Water Solubility, LogSw

-2.35

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

46.40

V027-6456 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with V027-6456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-6456?
Check Price and Availability of V027-6456, 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 V027-6456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-6456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-6456
  • 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 V027-6456 available by request