1900-2656 Screening compound: (4-nitrophenyl)(quinolin-8-ylsulfanyl)methanone

1900-2656 Screening compound: (4-nitrophenyl)(quinolin-8-ylsulfanyl)methanone
1900-2656 Screening compound: (4-nitrophenyl)(quinolin-8-ylsulfanyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 1900-2656
(4-nitrophenyl)(quinolin-8-ylsulfanyl)methanone

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

1900-2656

Molecular Formula

C16H10N2O3S (C16 H10 N2 O3 S)

Compound Name

(4-nitrophenyl)(quinolin-8-ylsulfanyl)methanone

IUPAC name

(4-nitrophenyl)(quinolin-8-ylsulfanyl)methanone

SMILES

[O-][N+](c(cc1)ccc1C(Sc1cccc2cccnc12)=O)=O

InChI

InChI=1S/C16H10N2O3S/c19-16(12-6-8-13(9-7-12)18(20)21)22-14-5-1-3-11-4-2-10-17-15(11)14/h1-10H

InChI Key

JITWTEFQSDRTGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01113008

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.802

Distribution Coefficient, logD

3.802

Water Solubility, LogSw

-3.93

Polar Surface Area

56.154

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1900-2656 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1900-2656 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1900-2656?
Check Price and Availability of 1900-2656, 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 1900-2656 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1900-2656
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1900-2656
  • 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 1900-2656 available by request