C700-0960 Screening compound: 2-[(2-nitrothiophen-3-yl)sulfanyl]-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one

C700-0960 Screening compound: 2-[(2-nitrothiophen-3-yl)sulfanyl]-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one
C700-0960 Screening compound: 2-[(2-nitrothiophen-3-yl)sulfanyl]-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-0960
2-[(2-nitrothiophen-3-yl)sulfanyl]-1-[4-(pyridin-2-yl)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

C700-0960

Molecular Formula

C15H16N4O3S2 (C15 H16 N4 O3 S2)

Compound Name

2-[(2-nitrothiophen-3-yl)sulfanyl]-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one

IUPAC name

2-[(2-nitrothiophen-3-yl)sulfanyl]-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one

SMILES

[O-][N+](c(scc1)c1SCC(N(CC1)CCN1c1ncccc1)=O)=O

InChI

InChI=1S/C15H16N4O3S2/c20-14(11-24-12-4-10-23-15(12)19(21)22)18-8-6-17(7-9-18)13-3-1-2-5-16-13/h1-5,10H,6-9,11H2

InChI Key

BTEBOJHGQNHJRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14785156

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.404

Distribution Coefficient, logD

2.395

Water Solubility, LogSw

-2.38

Polar Surface Area

62.581

Acid Dissociation Constant (pKa)

24.85

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C700-0960 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C700-0960 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-0960?
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What is the minimum amount of C700-0960 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-0960
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-0960
  • 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 C700-0960 available by request