P048-2061 Screening compound: N-(3,4-difluorophenyl)-N-[(2-fluorophenyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide

P048-2061 Screening compound: N-(3,4-difluorophenyl)-N-[(2-fluorophenyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
P048-2061 Screening compound: N-(3,4-difluorophenyl)-N-[(2-fluorophenyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P048-2061
N-(3,4-difluorophenyl)-N-[(2-fluorophenyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide

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

P048-2061

Molecular Formula

C20H15F3N4O2S (C20 H15 F3 N4 O2 S)

Compound Name

N-(3,4-difluorophenyl)-N-[(2-fluorophenyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide

IUPAC name

N-(34-difluorophenyl)-N-[(2-fluorophenyl)methyl]-3-methyl-[124]triazolo[43-a]pyridine-6-sulfonamide

SMILES

Cc1nnc(cc2)n1cc2S(N(Cc(cccc1)c1F)c(cc1)cc(F)c1F)(=O)=O

InChI

InChI=1S/C20H15F3N4O2S/c1-13-24-25-20-9-7-16(12-26(13)20)30(28,29)27(11-14-4-2-3-5-17(14)21)15-6-8-18(22)19(23)10-15/h2-10,12H,11H2,1H3

InChI Key

YEJOCNABOVJIDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22595681

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.460

Distribution Coefficient, logD

3.460

Water Solubility, LogSw

-3.65

Polar Surface Area

54.073

Acid Dissociation Constant (pKa)

24.80

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

P048-2061 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 P048-2061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P048-2061?
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What is the minimum amount of P048-2061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P048-2061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P048-2061
  • 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 P048-2061 available by request