S346-0855 Screening compound: 1-(3-fluoro-2-methylphenyl)-3-(3-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)urea

S346-0855 Screening compound: 1-(3-fluoro-2-methylphenyl)-3-(3-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)urea
S346-0855 Screening compound: 1-(3-fluoro-2-methylphenyl)-3-(3-{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 S346-0855
1-(3-fluoro-2-methylphenyl)-3-(3-{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

S346-0855

Molecular Formula

C20H20FN5O (C20 H20 FN5 O)

Compound Name

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

IUPAC name

1-(3-fluoro-2-methylphenyl)-3-(3-{5H6H7H8H-[124]triazolo[43-a]pyridin-3-yl}phenyl)urea

SMILES

Cc(c(NC(Nc1cc(-c2nnc3n2CCCC3)ccc1)=O)ccc1)c1F

InChI

InChI=1S/C20H20FN5O/c1-13-16(21)8-5-9-17(13)23-20(27)22-15-7-4-6-14(12-15)19-25-24-18-10-2-3-11-26(18)19/h4-9,12H,2-3,10-11H2,1H3,(H2,22,23,27)

InChI Key

LQJLUAJWSZZOLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29012629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.41

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

3.983

Distribution Coefficient, logD

3.981

Water Solubility, LogSw

-4.01

Polar Surface Area

56.537

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

5.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

S346-0855 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S346-0855 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S346-0855?
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What is the minimum amount of S346-0855 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S346-0855
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S346-0855
  • 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 S346-0855 available by request