C094-2067 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)formamido]-N-(3-ethoxypropyl)-2-(4-methoxyphenyl)acetamide

C094-2067 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)formamido]-N-(3-ethoxypropyl)-2-(4-methoxyphenyl)acetamide
C094-2067 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)formamido]-N-(3-ethoxypropyl)-2-(4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-2067
2-[(2H-1,3-benzodioxol-5-yl)formamido]-N-(3-ethoxypropyl)-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

C094-2067

Molecular Formula

C22H26N2O6 (C22 H26 N2 O6)

Compound Name

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

IUPAC name

2-[(2H-13-benzodioxol-5-yl)formamido]-N-(3-ethoxypropyl)-2-(4-methoxyphenyl)acetamide

SMILES

CCOCCCNC(C(c(cc1)ccc1OC)NC(c(cc1)cc2c1OCO2)=O)=O

InChI

InChI=1S/C22H26N2O6/c1-3-28-12-4-11-23-22(26)20(15-5-8-17(27-2)9-6-15)24-21(25)16-7-10-18-19(13-16)30-14-29-18/h5-10,13,20H,3-4,11-12,14H2,1-2H3,(H,23,26)(H,24,25)/t20-/m1/s1

InChI Key

PNRSNTQVHCPDDE-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD03828788

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.267

Distribution Coefficient, logD

2.267

Water Solubility, LogSw

-2.90

Polar Surface Area

81.167

Acid Dissociation Constant (pKa)

12.27

Base Dissociation Constant (pKb)

2.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

C094-2067 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C094-2067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-2067?
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What is the minimum amount of C094-2067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-2067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-2067
  • 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 C094-2067 available by request