C755-0157 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(2-nitrothiophen-3-yl)sulfanyl]acetamide

C755-0157 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(2-nitrothiophen-3-yl)sulfanyl]acetamide
C755-0157 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(2-nitrothiophen-3-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C755-0157
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(2-nitrothiophen-3-yl)sulfanyl]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

C755-0157

Molecular Formula

C18H22N2O5S2 (C18 H22 N2 O5 S2)

Compound Name

N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(2-nitrothiophen-3-yl)sulfanyl]acetamide

IUPAC name

N-[2-(34-diethoxyphenyl)ethyl]-2-[(2-nitrothiophen-3-yl)sulfanyl]acetamide

SMILES

CCOc(ccc(CCNC(CSc1c([N+]([O-])=O)scc1)=O)c1)c1OCC

InChI

InChI=1S/C18H22N2O5S2/c1-3-24-14-6-5-13(11-15(14)25-4-2)7-9-19-17(21)12-27-16-8-10-26-18(16)20(22)23/h5-6,8,10-11H,3-4,7,9,12H2,1-2H3,(H,19,21)

InChI Key

FMEGUPGWWLIDCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14791631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.302

Distribution Coefficient, logD

2.302

Water Solubility, LogSw

-2.78

Polar Surface Area

73.151

Acid Dissociation Constant (pKa)

14.50

Base Dissociation Constant (pKb)

-0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

References: we are preparing a list of scientific research reports with C755-0157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C755-0157?
Check Price and Availability of C755-0157, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C755-0157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C755-0157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C755-0157
  • 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 C755-0157 available by request