C034-0635 Screening compound: 4-{3-[4-(4-fluorophenyl)piperazino]-3-oxopropyl}-4-azatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione

C034-0635 Screening compound: 4-{3-[4-(4-fluorophenyl)piperazino]-3-oxopropyl}-4-azatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione
C034-0635 Screening compound: 4-{3-[4-(4-fluorophenyl)piperazino]-3-oxopropyl}-4-azatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C034-0635
4-{3-[4-(4-fluorophenyl)piperazino]-3-oxopropyl}-4-azatricyclo[5.2.2.0~2,6~]undec-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

C034-0635

Molecular Formula

C23H26FN3O3 (C23 H26 FN3 O3)

Compound Name

4-{3-[4-(4-fluorophenyl)piperazino]-3-oxopropyl}-4-azatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione

IUPAC name

4-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-4-azatricyclo[5.2.2.0^{26}]undec-8-ene-35-dione

SMILES

O=C(CCN(C(C1C(CC2)C=CC2C11)=O)C1=O)N(CC1)CCN1c(cc1)ccc1F

InChI

InChI=1S/C23H26FN3O3/c24-17-5-7-18(8-6-17)25-11-13-26(14-12-25)19(28)9-10-27-22(29)20-15-1-2-16(4-3-15)21(20)23(27)30/h1-2,5-8,15-16,20-21H,3-4,9-14H2

InChI Key

HMWNJOLXMFNPBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05031126

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

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.783

Distribution Coefficient, logD

1.783

Water Solubility, LogSw

-2.06

Polar Surface Area

49.235

Acid Dissociation Constant (pKa)

18.93

Base Dissociation Constant (pKb)

5.82

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

52.20

C034-0635 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C034-0635 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C034-0635?
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What is the minimum amount of C034-0635 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C034-0635
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C034-0635
  • 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 C034-0635 available by request