C797-0014 Screening compound: 2-[(2-nitrothiophen-3-yl)sulfanyl]-1-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}ethan-1-one

C797-0014 Screening compound: 2-[(2-nitrothiophen-3-yl)sulfanyl]-1-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}ethan-1-one
C797-0014 Screening compound: 2-[(2-nitrothiophen-3-yl)sulfanyl]-1-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-0014
2-[(2-nitrothiophen-3-yl)sulfanyl]-1-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}ethan-1-one

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

C797-0014

Molecular Formula

C20H25N3O6S2 (C20 H25 N3 O6 S2)

Compound Name

2-[(2-nitrothiophen-3-yl)sulfanyl]-1-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}ethan-1-one

IUPAC name

2-[(2-nitrothiophen-3-yl)sulfanyl]-1-{4-[(234-trimethoxyphenyl)methyl]piperazin-1-yl}ethan-1-one

SMILES

COc(ccc(CN(CC1)CCN1C(CSc1c([N+]([O-])=O)scc1)=O)c1OC)c1OC

InChI

InChI=1S/C20H25N3O6S2/c1-27-15-5-4-14(18(28-2)19(15)29-3)12-21-7-9-22(10-8-21)17(24)13-31-16-6-11-30-20(16)23(25)26/h4-6,11H,7-10,12-13H2,1-3H3

InChI Key

ZZXAAKVYTVANAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14797781

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.57

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.365

Distribution Coefficient, logD

2.228

Water Solubility, LogSw

-2.59

Polar Surface Area

77.415

Acid Dissociation Constant (pKa)

25.57

Base Dissociation Constant (pKb)

6.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

C797-0014 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C797-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-0014?
Check Price and Availability of C797-0014, 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 C797-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-0014
  • 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 C797-0014 available by request