P047-0462 Screening compound: 2-[(3,5-difluorophenyl)methyl]-6-(thiomorpholine-4-sulfonyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one

P047-0462 Screening compound: 2-[(3,5-difluorophenyl)methyl]-6-(thiomorpholine-4-sulfonyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one
P047-0462 Screening compound: 2-[(3,5-difluorophenyl)methyl]-6-(thiomorpholine-4-sulfonyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P047-0462
2-[(3,5-difluorophenyl)methyl]-6-(thiomorpholine-4-sulfonyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one

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

P047-0462

Molecular Formula

C17H16F2N4O3S2 (C17 H16 F2 N4 O3 S2)

Compound Name

2-[(3,5-difluorophenyl)methyl]-6-(thiomorpholine-4-sulfonyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one

IUPAC name

2-[(35-difluorophenyl)methyl]-6-(thiomorpholine-4-sulfonyl)-2H3H-[124]triazolo[43-a]pyridin-3-one

SMILES

O=C1N(C=C(C=C2)S(N3CCSCC3)(=O)=O)C2=NN1Cc1cc(F)cc(F)c1

InChI

InChI=1S/C17H16F2N4O3S2/c18-13-7-12(8-14(19)9-13)10-23-17(24)22-11-15(1-2-16(22)20-23)28(25,26)21-3-5-27-6-4-21/h1-2,7-9,11H,3-6,10H2

InChI Key

RNOPDGPAWULCJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22595563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.223

Distribution Coefficient, logD

2.223

Water Solubility, LogSw

-2.38

Polar Surface Area

64.511

Acid Dissociation Constant (pKa)

22.92

Base Dissociation Constant (pKb)

3.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

P047-0462 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with P047-0462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P047-0462?
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What is the minimum amount of P047-0462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P047-0462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P047-0462
  • 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 P047-0462 available by request