C797-0012 Screening compound: 2-[(2-nitrothiophen-3-yl)sulfanyl]-N-(3-phenylpropyl)acetamide

C797-0012 Screening compound: 2-[(2-nitrothiophen-3-yl)sulfanyl]-N-(3-phenylpropyl)acetamide
C797-0012 Screening compound: 2-[(2-nitrothiophen-3-yl)sulfanyl]-N-(3-phenylpropyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-0012
2-[(2-nitrothiophen-3-yl)sulfanyl]-N-(3-phenylpropyl)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

C797-0012

Molecular Formula

C15H16N2O3S2 (C15 H16 N2 O3 S2)

Compound Name

2-[(2-nitrothiophen-3-yl)sulfanyl]-N-(3-phenylpropyl)acetamide

IUPAC name

2-[(2-nitrothiophen-3-yl)sulfanyl]-N-(3-phenylpropyl)acetamide

SMILES

[O-][N+](c(scc1)c1SCC(NCCCc1ccccc1)=O)=O

InChI

InChI=1S/C15H16N2O3S2/c18-14(11-22-13-8-10-21-15(13)17(19)20)16-9-4-7-12-5-2-1-3-6-12/h1-3,5-6,8,10H,4,7,9,11H2,(H,16,18)

InChI Key

HKZXSTQCEMKXAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14797780

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.270

Distribution Coefficient, logD

3.270

Water Solubility, LogSw

-3.52

Polar Surface Area

58.730

Acid Dissociation Constant (pKa)

14.85

Base Dissociation Constant (pKb)

-0.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

References: we are preparing a list of scientific research reports with C797-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-0012?
Check Price and Availability of C797-0012, 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 C797-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-0012
  • 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 C797-0012 available by request