4236-3442 Screening compound: N1-[4-(4-PHENYL-2-THIOXO-2

4236-3442 Screening compound: N1-[4-(4-PHENYL-2-THIOXO-2
4236-3442 Screening compound: N1-[4-(4-PHENYL-2-THIOXO-2 alternative view

Chemical Structure Depiction of ChemDiv screening compound 4236-3442
N1-[4-(4-PHENYL-2-THIOXO-2

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

4236-3442

Molecular Formula

C17H15N3OS (C17 H15 N3 OS)

Compound Name

N1-[4-(4-PHENYL-2-THIOXO-2

IUPAC name

n/a

SMILES

CC(Nc(cc1)ccc1N(C=C(c1ccccc1)N1)C1=S)=O

InChI

InChI=1S/C17H15N3OS/c1-12(21)18-14-7-9-15(10-8-14)20-11-16(19-17(20)22)13-5-3-2-4-6-13/h2-11H,1H3,(H,18,21)(H,19,22)

InChI Key

ZCUQXYLNTJAWPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02725093

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.632

Distribution Coefficient, logD

0.989

Water Solubility, LogSw

-3.25

Polar Surface Area

37.660

Acid Dissociation Constant (pKa)

6.62

Base Dissociation Constant (pKb)

2.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

2.00

References: we are preparing a list of scientific research reports with 4236-3442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4236-3442?
Check Price and Availability of 4236-3442, 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 4236-3442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4236-3442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4236-3442
  • 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 4236-3442 available by request