V004-7127 Screening compound: 8-(3-chlorobenzoyl)-4-(4-fluorobenzoyl)-3-(4-methylpiperazine-1-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane

V004-7127 Screening compound: 8-(3-chlorobenzoyl)-4-(4-fluorobenzoyl)-3-(4-methylpiperazine-1-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane
V004-7127 Screening compound: 8-(3-chlorobenzoyl)-4-(4-fluorobenzoyl)-3-(4-methylpiperazine-1-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-7127
8-(3-chlorobenzoyl)-4-(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

V004-7127

Molecular Formula

C27H30ClFN4O4 (C27 H30 ClFN4 O4)

Compound Name

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

IUPAC name

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

SMILES

CN(CC1)CCN1C(C(COC1(CC2)CCN2C(c2cccc(Cl)c2)=O)N1C(c(cc1)ccc1F)=O)=O

InChI

InChI=1S/C27H30ClFN4O4/c1-30-13-15-32(16-14-30)26(36)23-18-37-27(33(23)25(35)19-5-7-22(29)8-6-19)9-11-31(12-10-27)24(34)20-3-2-4-21(28)17-20/h2-8,17,23H,9-16,18H2,1H3/t23-/m1/s1

InChI Key

BKSHOPHALPGKPZ-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD19813818

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

529.01

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

1.898

Distribution Coefficient, logD

1.704

Water Solubility, LogSw

-2.81

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 V004-7127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-7127?
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What is the minimum amount of V004-7127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-7127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-7127
  • 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 V004-7127 available by request