S346-0859 Screening compound: 1-phenyl-3-(4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)urea

S346-0859 Screening compound: 1-phenyl-3-(4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)urea
S346-0859 Screening compound: 1-phenyl-3-(4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound S346-0859
1-phenyl-3-(4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)urea

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

S346-0859

Molecular Formula

C19H19N5O (C19 H19 N5 O)

Compound Name

1-phenyl-3-(4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)urea

IUPAC name

1-phenyl-3-(4-{5H6H7H8H-[124]triazolo[43-a]pyridin-3-yl}phenyl)urea

SMILES

O=C(Nc1ccccc1)Nc(cc1)ccc1-c1nnc2n1CCCC2

InChI

InChI=1S/C19H19N5O/c25-19(20-15-6-2-1-3-7-15)21-16-11-9-14(10-12-16)18-23-22-17-8-4-5-13-24(17)18/h1-3,6-7,9-12H,4-5,8,13H2,(H2,20,21,25)

InChI Key

NIUWILLBXMSAGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29006969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.330

Distribution Coefficient, logD

3.329

Water Solubility, LogSw

-3.56

Polar Surface Area

57.235

Acid Dissociation Constant (pKa)

13.63

Base Dissociation Constant (pKb)

4.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

S346-0859 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with S346-0859 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S346-0859?
Check Price and Availability of S346-0859, 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 S346-0859 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S346-0859
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S346-0859
  • 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 S346-0859 available by request