Y020-5312 Screening compound: 2-{[(4-nitrophenyl)methyl]sulfanyl}-4-phenylquinazoline

Y020-5312 Screening compound: 2-{[(4-nitrophenyl)methyl]sulfanyl}-4-phenylquinazoline
Y020-5312 Screening compound: 2-{[(4-nitrophenyl)methyl]sulfanyl}-4-phenylquinazoline alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-5312
2-{[(4-nitrophenyl)methyl]sulfanyl}-4-phenylquinazoline

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

Y020-5312

Molecular Formula

C21H15N3O2S (C21 H15 N3 O2 S)

Compound Name

2-{[(4-nitrophenyl)methyl]sulfanyl}-4-phenylquinazoline

IUPAC name

2-{[(4-nitrophenyl)methyl]sulfanyl}-4-phenylquinazoline

SMILES

[O-][N+](c1ccc(CSc2nc3ccccc3c(-c3ccccc3)n2)cc1)=O

InChI

InChI=1S/C21H15N3O2S/c25-24(26)17-12-10-15(11-13-17)14-27-21-22-19-9-5-4-8-18(19)20(23-21)16-6-2-1-3-7-16/h1-13H,14H2

InChI Key

JDYYGQKVQQNHPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02816990

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.228

Distribution Coefficient, logD

5.228

Water Solubility, LogSw

-5.77

Polar Surface Area

50.855

Acid Dissociation Constant (pKa)

22.07

Base Dissociation Constant (pKb)

1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

Y020-5312 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 Y020-5312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-5312?
Check Price and Availability of Y020-5312, 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 Y020-5312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-5312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-5312
  • 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 Y020-5312 available by request