C034-0065 Screening compound: 4-{4-[4-(4-fluorophenyl)piperazino]-4-oxobutyl}-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

C034-0065 Screening compound: 4-{4-[4-(4-fluorophenyl)piperazino]-4-oxobutyl}-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
C034-0065 Screening compound: 4-{4-[4-(4-fluorophenyl)piperazino]-4-oxobutyl}-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C034-0065
4-{4-[4-(4-fluorophenyl)piperazino]-4-oxobutyl}-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

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

C034-0065

Molecular Formula

C23H26FN3O3 (C23 H26 FN3 O3)

Compound Name

4-{4-[4-(4-fluorophenyl)piperazino]-4-oxobutyl}-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

IUPAC name

4-{4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl}-4-azatricyclo[5.2.1.0^{26}]dec-8-ene-35-dione

SMILES

O=C(CCCN(C(C1C2C3C=CC1C3)=O)C2=O)N(CC1)CCN1c(cc1)ccc1F

InChI

InChI=1S/C23H26FN3O3/c24-17-5-7-18(8-6-17)25-10-12-26(13-11-25)19(28)2-1-9-27-22(29)20-15-3-4-16(14-15)21(20)23(27)30/h3-8,15-16,20-21H,1-2,9-14H2

InChI Key

APGRBDOWDOVVDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05031124

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.423

Distribution Coefficient, logD

1.423

Water Solubility, LogSw

-1.92

Polar Surface Area

49.967

Acid Dissociation Constant (pKa)

18.73

Base Dissociation Constant (pKb)

5.82

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

52.20

References: we are preparing a list of scientific research reports with C034-0065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C034-0065?
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What is the minimum amount of C034-0065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C034-0065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C034-0065
  • 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 C034-0065 available by request