C094-2084 Screening compound: 2-[1-(2H-1,3-benzodioxol-5-yl)-N-[(thiophen-2-yl)methyl]formamido]-N-(3-ethoxypropyl)-2-phenylacetamide

C094-2084 Screening compound: 2-[1-(2H-1,3-benzodioxol-5-yl)-N-[(thiophen-2-yl)methyl]formamido]-N-(3-ethoxypropyl)-2-phenylacetamide
C094-2084 Screening compound: 2-[1-(2H-1,3-benzodioxol-5-yl)-N-[(thiophen-2-yl)methyl]formamido]-N-(3-ethoxypropyl)-2-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-2084
2-[1-(2H-1,3-benzodioxol-5-yl)-N-[(thiophen-2-yl)methyl]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

C094-2084

Molecular Formula

C26H28N2O5S (C26 H28 N2 O5 S)

Compound Name

2-[1-(2H-1,3-benzodioxol-5-yl)-N-[(thiophen-2-yl)methyl]formamido]-N-(3-ethoxypropyl)-2-phenylacetamide

IUPAC name

2-[1-(2H-13-benzodioxol-5-yl)-N-[(thiophen-2-yl)methyl]formamido]-N-(3-ethoxypropyl)-2-phenylacetamide

SMILES

CCOCCCNC(C(c1ccccc1)N(Cc1cccs1)C(c(cc1)cc2c1OCO2)=O)=O

InChI

InChI=1S/C26H28N2O5S/c1-2-31-14-7-13-27-25(29)24(19-8-4-3-5-9-19)28(17-21-10-6-15-34-21)26(30)20-11-12-22-23(16-20)33-18-32-22/h3-6,8-12,15-16,24H,2,7,13-14,17-18H2,1H3,(H,27,29)/t24-/m1/s1

InChI Key

AYOSJEYEZDKTKL-XMMPIXPASA-N

MDL Number (MFCD)

MFCD08673580

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.089

Distribution Coefficient, logD

4.089

Water Solubility, LogSw

-4.13

Polar Surface Area

65.800

Acid Dissociation Constant (pKa)

14.90

Base Dissociation Constant (pKb)

2.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with C094-2084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-2084?
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What is the minimum amount of C094-2084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-2084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-2084
  • 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 C094-2084 available by request