8017-8225 Screening compound: 2-{[4-(4-chlorophenyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N~1~-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide

8017-8225 Screening compound: 2-{[4-(4-chlorophenyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N~1~-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide
8017-8225 Screening compound: 2-{[4-(4-chlorophenyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N~1~-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-8225
2-{[4-(4-chlorophenyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N~1~-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide

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

8017-8225

Molecular Formula

C25H21ClN6O2S2 (C25 H21 ClN6 O2 S2)

Compound Name

2-{[4-(4-chlorophenyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N~1~-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide

IUPAC name

n/a

SMILES

CC(N(C)N(C1=O)c2ccccc2)=C1NC(CSc1nnc(-c2cccs2)n1-c(cc1)ccc1Cl)=O

InChI

InChI=1S/C25H21ClN6O2S2/c1-16-22(24(34)32(30(16)2)19-7-4-3-5-8-19)27-21(33)15-36-25-29-28-23(20-9-6-14-35-20)31(25)18-12-10-17(26)11-13-18/h3-14H,15H2,1-2H3,(H,27,33)

InChI Key

KSWSTROVRSMTKS-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.07

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.652

Distribution Coefficient, logD

3.623

Water Solubility, LogSw

-4.08

Polar Surface Area

69.261

Acid Dissociation Constant (pKa)

8.56

Base Dissociation Constant (pKb)

2.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with 8017-8225 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-8225?
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What is the minimum amount of 8017-8225 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-8225
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-8225
  • 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 8017-8225 available by request