C094-0127 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[4-(propan-2-yl)phenyl]acetamide

C094-0127 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[4-(propan-2-yl)phenyl]acetamide
C094-0127 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[4-(propan-2-yl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-0127
2-(2H-1,3-benzodioxol-5-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[4-(propan-2-yl)phenyl]acetamide

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

C094-0127

Molecular Formula

C27H29N3O5 (C27 H29 N3 O5)

Compound Name

2-(2H-1,3-benzodioxol-5-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[4-(propan-2-yl)phenyl]acetamide

IUPAC name

2-(2H-13-benzodioxol-5-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[4-(propan-2-yl)phenyl]acetamide

SMILES

CC(C)c(cc1)ccc1NC(C(c(cc1)cc2c1OCO2)N(CC1)CCN1C(c1ccco1)=O)=O

InChI

InChI=1S/C27H29N3O5/c1-18(2)19-5-8-21(9-6-19)28-26(31)25(20-7-10-22-24(16-20)35-17-34-22)29-11-13-30(14-12-29)27(32)23-4-3-15-33-23/h3-10,15-16,18,25H,11-14,17H2,1-2H3,(H,28,31)/t25-/m1/s1

InChI Key

PFJIKZKFDKDEBM-RUZDIDTESA-N

MDL Number (MFCD)

MFCD14718949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.380

Distribution Coefficient, logD

4.380

Water Solubility, LogSw

-4.18

Polar Surface Area

68.505

Acid Dissociation Constant (pKa)

11.58

Base Dissociation Constant (pKb)

3.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

C094-0127 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C094-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-0127?
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What is the minimum amount of C094-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-0127
  • 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 C094-0127 available by request