C118-0450 Screening compound: 2-{[(2-fluorophenyl)methyl]sulfanyl}-5-methyl-N-phenyl-7-(pyridin-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C118-0450 Screening compound: 2-{[(2-fluorophenyl)methyl]sulfanyl}-5-methyl-N-phenyl-7-(pyridin-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
C118-0450 Screening compound: 2-{[(2-fluorophenyl)methyl]sulfanyl}-5-methyl-N-phenyl-7-(pyridin-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C118-0450
2-{[(2-fluorophenyl)methyl]sulfanyl}-5-methyl-N-phenyl-7-(pyridin-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

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

C118-0450

Molecular Formula

C25H21FN6OS (C25 H21 FN6 OS)

Compound Name

2-{[(2-fluorophenyl)methyl]sulfanyl}-5-methyl-N-phenyl-7-(pyridin-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

IUPAC name

2-{[(2-fluorophenyl)methyl]sulfanyl}-5-methyl-N-phenyl-7-(pyridin-2-yl)-4H7H-[124]triazolo[15-a]pyrimidine-6-carboxamide

SMILES

CC(Nc1nc(SCc(cccc2)c2F)nn1C1c2ncccc2)=C1C(Nc1ccccc1)=O

InChI

InChI=1S/C25H21FN6OS/c1-16-21(23(33)29-18-10-3-2-4-11-18)22(20-13-7-8-14-27-20)32-24(28-16)30-25(31-32)34-15-17-9-5-6-12-19(17)26/h2-14,22H,15H2,1H3,(H,29,33)(H,28,30,31)/t22-/m0/s1

InChI Key

VEIKHWYMIPVPOA-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD04457169

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.423

Distribution Coefficient, logD

4.422

Water Solubility, LogSw

-4.30

Polar Surface Area

67.638

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

C118-0450 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C118-0450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C118-0450?
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What is the minimum amount of C118-0450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C118-0450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C118-0450
  • 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 C118-0450 available by request