C755-0447 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(2-nitrothiophen-3-yl)sulfanyl]propanamide

C755-0447 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(2-nitrothiophen-3-yl)sulfanyl]propanamide
C755-0447 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(2-nitrothiophen-3-yl)sulfanyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C755-0447
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(2-nitrothiophen-3-yl)sulfanyl]propanamide

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

C755-0447

Molecular Formula

C19H24N2O5S2 (C19 H24 N2 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOc(ccc(CCNC(C(C)Sc1c([N+]([O-])=O)scc1)=O)c1)c1OCC

InChI

InChI=1S/C19H24N2O5S2/c1-4-25-15-7-6-14(12-16(15)26-5-2)8-10-20-18(22)13(3)28-17-9-11-27-19(17)21(23)24/h6-7,9,11-13H,4-5,8,10H2,1-3H3,(H,20,22)/t13-/m0/s1

InChI Key

LGKGHDWDTDZHLI-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14791646

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.54

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

3.060

Distribution Coefficient, logD

3.060

Water Solubility, LogSw

-3.40

Polar Surface Area

73.364

Acid Dissociation Constant (pKa)

14.25

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

References: we are preparing a list of scientific research reports with C755-0447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C755-0447?
Check Price and Availability of C755-0447, 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 C755-0447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C755-0447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C755-0447
  • 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 C755-0447 available by request