C094-0141 Screening compound: 2-[ethyl(3-methylphenyl)amino]-N-(4-methoxyphenyl)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide

C094-0141 Screening compound: 2-[ethyl(3-methylphenyl)amino]-N-(4-methoxyphenyl)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide
C094-0141 Screening compound: 2-[ethyl(3-methylphenyl)amino]-N-(4-methoxyphenyl)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-0141
2-[ethyl(3-methylphenyl)amino]-N-(4-methoxyphenyl)-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

C094-0141

Molecular Formula

C25H25N3O6 (C25 H25 N3 O6)

Compound Name

2-[ethyl(3-methylphenyl)amino]-N-(4-methoxyphenyl)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide

IUPAC name

2-[ethyl(3-methylphenyl)amino]-N-(4-methoxyphenyl)-2-(6-nitro-2H-13-benzodioxol-5-yl)acetamide

SMILES

CCN(C(C(Nc(cc1)ccc1OC)=O)c(cc1OCOc1c1)c1[N+]([O-])=O)c1cc(C)ccc1

InChI

InChI=1S/C25H25N3O6/c1-4-27(18-7-5-6-16(2)12-18)24(25(29)26-17-8-10-19(32-3)11-9-17)20-13-22-23(34-15-33-22)14-21(20)28(30)31/h5-14,24H,4,15H2,1-3H3,(H,26,29)/t24-/m1/s1

InChI Key

HGAZVQWDLSGUKZ-XMMPIXPASA-N

MDL Number (MFCD)

MFCD03449689

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.278

Distribution Coefficient, logD

5.278

Water Solubility, LogSw

-5.23

Polar Surface Area

82.794

Acid Dissociation Constant (pKa)

11.45

Base Dissociation Constant (pKb)

1.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

C094-0141 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C094-0141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-0141?
Check Price and Availability of C094-0141, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C094-0141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-0141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-0141
  • 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 C094-0141 available by request