C094-2152 Screening compound: 2-[1-(2H-1,3-benzodioxol-5-yl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]formamido]-N-(3-ethoxypropyl)-2-phenylacetamide

C094-2152 Screening compound: 2-[1-(2H-1,3-benzodioxol-5-yl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]formamido]-N-(3-ethoxypropyl)-2-phenylacetamide
C094-2152 Screening compound: 2-[1-(2H-1,3-benzodioxol-5-yl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]formamido]-N-(3-ethoxypropyl)-2-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-2152
2-[1-(2H-1,3-benzodioxol-5-yl)-N-[(2H-1,3-benzodioxol-5-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

C094-2152

Molecular Formula

C29H30N2O7 (C29 H30 N2 O7)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C29H30N2O7/c1-2-34-14-6-13-30-28(32)27(21-7-4-3-5-8-21)31(17-20-9-11-23-25(15-20)37-18-35-23)29(33)22-10-12-24-26(16-22)38-19-36-24/h3-5,7-12,15-16,27H,2,6,13-14,17-19H2,1H3,(H,30,32)/t27-/m1/s1

InChI Key

LJIHLYQHPMOINT-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD03828819

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.990

Distribution Coefficient, logD

3.990

Water Solubility, LogSw

-4.06

Polar Surface Area

81.897

Acid Dissociation Constant (pKa)

14.90

Base Dissociation Constant (pKb)

1.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.00

References: we are preparing a list of scientific research reports with C094-2152 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-2152?
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What is the minimum amount of C094-2152 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-2152
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-2152
  • 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 C094-2152 available by request