C094-2159 Screening compound: 2-{N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-acetamidophenyl)formamido}-N-(3-ethoxypropyl)-2-phenylacetamide

C094-2159 Screening compound: 2-{N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-acetamidophenyl)formamido}-N-(3-ethoxypropyl)-2-phenylacetamide
C094-2159 Screening compound: 2-{N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-acetamidophenyl)formamido}-N-(3-ethoxypropyl)-2-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-2159
2-{N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-acetamidophenyl)formamido}-N-(3-ethoxypropyl)-2-phenylacetamide

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

C094-2159

Molecular Formula

C30H33N3O6 (C30 H33 N3 O6)

Compound Name

2-{N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-acetamidophenyl)formamido}-N-(3-ethoxypropyl)-2-phenylacetamide

IUPAC name

2-{N-[(2H-13-benzodioxol-5-yl)methyl]-1-(4-acetamidophenyl)formamido}-N-(3-ethoxypropyl)-2-phenylacetamide

SMILES

CCOCCCNC(C(c1ccccc1)N(Cc(cc1)cc2c1OCO2)C(c(cc1)ccc1NC(C)=O)=O)=O

InChI

InChI=1S/C30H33N3O6/c1-3-37-17-7-16-31-29(35)28(23-8-5-4-6-9-23)33(19-22-10-15-26-27(18-22)39-20-38-26)30(36)24-11-13-25(14-12-24)32-21(2)34/h4-6,8-15,18,28H,3,7,16-17,19-20H2,1-2H3,(H,31,35)(H,32,34)/t28-/m1/s1

InChI Key

VRJYMHVVPCHKQT-MUUNZHRXSA-N

MDL Number (MFCD)

MFCD03828821

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.353

Distribution Coefficient, logD

3.353

Water Solubility, LogSw

-3.53

Polar Surface Area

88.043

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

1.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

C094-2159 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 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 C094-2159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-2159?
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What is the minimum amount of C094-2159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-2159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-2159
  • 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 C094-2159 available by request