C094-2135 Screening compound: 2-[1-(2H-1,3-benzodioxol-5-yl)-N-[(thiophen-2-yl)methyl]formamido]-N-(3-ethoxypropyl)-2-(4-methoxyphenyl)acetamide

C094-2135 Screening compound: 2-[1-(2H-1,3-benzodioxol-5-yl)-N-[(thiophen-2-yl)methyl]formamido]-N-(3-ethoxypropyl)-2-(4-methoxyphenyl)acetamide
C094-2135 Screening compound: 2-[1-(2H-1,3-benzodioxol-5-yl)-N-[(thiophen-2-yl)methyl]formamido]-N-(3-ethoxypropyl)-2-(4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-2135
2-[1-(2H-1,3-benzodioxol-5-yl)-N-[(thiophen-2-yl)methyl]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

C094-2135

Molecular Formula

C27H30N2O6S (C27 H30 N2 O6 S)

Compound Name

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

IUPAC name

2-[1-(2H-13-benzodioxol-5-yl)-N-[(thiophen-2-yl)methyl]formamido]-N-(3-ethoxypropyl)-2-(4-methoxyphenyl)acetamide

SMILES

CCOCCCNC(C(c(cc1)ccc1OC)N(Cc1cccs1)C(c(cc1)cc2c1OCO2)=O)=O

InChI

InChI=1S/C27H30N2O6S/c1-3-33-14-5-13-28-26(30)25(19-7-10-21(32-2)11-8-19)29(17-22-6-4-15-36-22)27(31)20-9-12-23-24(16-20)35-18-34-23/h4,6-12,15-16,25H,3,5,13-14,17-18H2,1-2H3,(H,28,30)/t25-/m1/s1

InChI Key

QDAVBJYMRFEGGV-RUZDIDTESA-N

MDL Number (MFCD)

MFCD03828814

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.067

Distribution Coefficient, logD

4.067

Water Solubility, LogSw

-4.10

Polar Surface Area

73.343

Acid Dissociation Constant (pKa)

14.90

Base Dissociation Constant (pKb)

2.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with C094-2135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-2135?
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What is the minimum amount of C094-2135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-2135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-2135
  • 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 C094-2135 available by request