1726-0004 Screening compound: 3-(3-nitrophenyl)-1-phenyl-3-(thiophen-2-ylsulfanyl)propan-1-one

1726-0004 Screening compound: 3-(3-nitrophenyl)-1-phenyl-3-(thiophen-2-ylsulfanyl)propan-1-one
1726-0004 Screening compound: 3-(3-nitrophenyl)-1-phenyl-3-(thiophen-2-ylsulfanyl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1726-0004
3-(3-nitrophenyl)-1-phenyl-3-(thiophen-2-ylsulfanyl)propan-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

1726-0004

Molecular Formula

C19H15NO3S2 (C19 H15 NO3 S2)

Compound Name

3-(3-nitrophenyl)-1-phenyl-3-(thiophen-2-ylsulfanyl)propan-1-one

IUPAC name

3-(3-nitrophenyl)-1-phenyl-3-(thiophen-2-ylsulfanyl)propan-1-one

SMILES

[O-][N+](c1cccc(C(CC(c2ccccc2)=O)Sc2cccs2)c1)=O

InChI

InChI=1S/C19H15NO3S2/c21-17(14-6-2-1-3-7-14)13-18(25-19-10-5-11-24-19)15-8-4-9-16(12-15)20(22)23/h1-12,18H,13H2/t18-/m0/s1

InChI Key

JZIJMBZOOLDCFI-SFHVURJKSA-N

MDL Number (MFCD)

MFCD00375716

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.165

Distribution Coefficient, logD

5.165

Water Solubility, LogSw

-5.47

Polar Surface Area

47.342

Acid Dissociation Constant (pKa)

19.98

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.50

1726-0004 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1726-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1726-0004?
Check Price and Availability of 1726-0004, 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 1726-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1726-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1726-0004
  • 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 1726-0004 available by request