C094-0118 Screening compound: 2-(1,3-benzodioxol-5-yl)-2-(diethylamino)-N~1~-(4-isopropylphenyl)acetamide

C094-0118 Screening compound: 2-(1,3-benzodioxol-5-yl)-2-(diethylamino)-N~1~-(4-isopropylphenyl)acetamide
C094-0118 Screening compound: 2-(1,3-benzodioxol-5-yl)-2-(diethylamino)-N~1~-(4-isopropylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-0118
2-(1,3-benzodioxol-5-yl)-2-(diethylamino)-N~1~-(4-isopropylphenyl)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

C094-0118

Molecular Formula

C22H28N2O3 (C22 H28 N2 O3)

Compound Name

2-(1,3-benzodioxol-5-yl)-2-(diethylamino)-N~1~-(4-isopropylphenyl)acetamide

IUPAC name

n/a

SMILES

CCN(CC)C(C(Nc1ccc(C(C)C)cc1)=O)c(cc1)cc2c1OCO2

InChI

InChI=1S/C22H28N2O3/c1-5-24(6-2)21(17-9-12-19-20(13-17)27-14-26-19)22(25)23-18-10-7-16(8-11-18)15(3)4/h7-13,15,21H,5-6,14H2,1-4H3,(H,23,25)/t21-/m1/s1

InChI Key

XDJPIAZHJWEVFX-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD03449673

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.870

Distribution Coefficient, logD

4.780

Water Solubility, LogSw

-4.49

Polar Surface Area

42.754

Acid Dissociation Constant (pKa)

11.58

Base Dissociation Constant (pKb)

6.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

C094-0118 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

CNS targets activity set (6557 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C094-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-0118?
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What is the minimum amount of C094-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-0118
  • 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 C094-0118 available by request