C094-2365 Screening compound: N-cyclohexyl-2-(4-formylpiperazin-1-yl)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide

C094-2365 Screening compound: N-cyclohexyl-2-(4-formylpiperazin-1-yl)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide
C094-2365 Screening compound: N-cyclohexyl-2-(4-formylpiperazin-1-yl)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-2365
N-cyclohexyl-2-(4-formylpiperazin-1-yl)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)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

C094-2365

Molecular Formula

C20H26N4O6 (C20 H26 N4 O6)

Compound Name

N-cyclohexyl-2-(4-formylpiperazin-1-yl)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide

IUPAC name

N-cyclohexyl-2-(4-formylpiperazin-1-yl)-2-(6-nitro-2H-13-benzodioxol-5-yl)acetamide

SMILES

[O-][N+](c1c(C(C(NC2CCCCC2)=O)N(CC2)CCN2C=O)cc2OCOc2c1)=O

InChI

InChI=1S/C20H26N4O6/c25-12-22-6-8-23(9-7-22)19(20(26)21-14-4-2-1-3-5-14)15-10-17-18(30-13-29-17)11-16(15)24(27)28/h10-12,14,19H,1-9,13H2,(H,21,26)/t19-/m1/s1

InChI Key

ZQLGSNQYKBUJKK-LJQANCHMSA-N

MDL Number (MFCD)

MFCD04062621

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.45

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.785

Distribution Coefficient, logD

1.780

Water Solubility, LogSw

-2.37

Polar Surface Area

95.067

Acid Dissociation Constant (pKa)

14.85

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

C094-2365 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C094-2365 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-2365?
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What is the minimum amount of C094-2365 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-2365
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-2365
  • 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 C094-2365 available by request