C094-0199 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[2-(1H-indol-3-yl)-N-methylacetamido]-2-(4-methoxyphenyl)acetamide

C094-0199 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[2-(1H-indol-3-yl)-N-methylacetamido]-2-(4-methoxyphenyl)acetamide
C094-0199 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[2-(1H-indol-3-yl)-N-methylacetamido]-2-(4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-0199
N-(2H-1,3-benzodioxol-5-yl)-2-[2-(1H-indol-3-yl)-N-methylacetamido]-2-(4-methoxyphenyl)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

C094-0199

Molecular Formula

C27H25N3O5 (C27 H25 N3 O5)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-[2-(1H-indol-3-yl)-N-methylacetamido]-2-(4-methoxyphenyl)acetamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-[2-(1H-indol-3-yl)-N-methylacetamido]-2-(4-methoxyphenyl)acetamide

SMILES

CN(C(C(Nc(cc1)cc2c1OCO2)=O)c(cc1)ccc1OC)C(Cc1c[nH]c2c1cccc2)=O

InChI

InChI=1S/C27H25N3O5/c1-30(25(31)13-18-15-28-22-6-4-3-5-21(18)22)26(17-7-10-20(33-2)11-8-17)27(32)29-19-9-12-23-24(14-19)35-16-34-23/h3-12,14-15,26,28H,13,16H2,1-2H3,(H,29,32)/t26-/m1/s1

InChI Key

XKJZTTNNVBYRFQ-AREMUKBSSA-N

MDL Number (MFCD)

MFCD03449726

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.962

Distribution Coefficient, logD

3.961

Water Solubility, LogSw

-4.31

Polar Surface Area

72.274

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

2.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.50

C094-0199 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 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 C094-0199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-0199?
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What is the minimum amount of C094-0199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-0199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-0199
  • 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 C094-0199 available by request