8013-2360 Screening compound: 2-[(4-amino-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]-N-(3-chlorophenyl)acetamide

8013-2360 Screening compound: 2-[(4-amino-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]-N-(3-chlorophenyl)acetamide
8013-2360 Screening compound: 2-[(4-amino-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]-N-(3-chlorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2360
2-[(4-amino-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]-N-(3-chlorophenyl)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

8013-2360

Molecular Formula

C12H12ClN5O2S (C12 H12 ClN5 O2 S)

Compound Name

2-[(4-amino-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]-N-(3-chlorophenyl)acetamide

IUPAC name

2-[(4-amino-6-methyl-5-oxo-45-dihydro-124-triazin-3-yl)sulfanyl]-N-(3-chlorophenyl)acetamide

SMILES

CC(C(N1N)=O)=NN=C1SCC(Nc1cccc(Cl)c1)=O

InChI

InChI=1S/C12H12ClN5O2S/c1-7-11(20)18(14)12(17-16-7)21-6-10(19)15-9-4-2-3-8(13)5-9/h2-5H,6,14H2,1H3,(H,15,19)

InChI Key

PPTCVZOURBBPFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03494478

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.78

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.750

Distribution Coefficient, logD

1.750

Water Solubility, LogSw

-2.83

Polar Surface Area

75.437

Acid Dissociation Constant (pKa)

11.05

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

References: we are preparing a list of scientific research reports with 8013-2360 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2360?
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What is the minimum amount of 8013-2360 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2360
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2360
  • 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 8013-2360 available by request