8016-6841 Screening compound: 2-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N~1~-(2-iodophenyl)acetamide

8016-6841 Screening compound: 2-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N~1~-(2-iodophenyl)acetamide
8016-6841 Screening compound: 2-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N~1~-(2-iodophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-6841
2-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N~1~-(2-iodophenyl)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

8016-6841

Molecular Formula

C15H14IN5OS (C15 H14 IN5 OS)

Compound Name

2-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N~1~-(2-iodophenyl)acetamide

IUPAC name

2-({57-dimethyl-[124]triazolo[15-a]pyrimidin-2-yl}sulfanyl)-N-(2-iodophenyl)acetamide

SMILES

Cc1cc(C)nc2nc(SCC(Nc(cccc3)c3I)=O)nn12

InChI

InChI=1S/C15H14IN5OS/c1-9-7-10(2)21-14(17-9)19-15(20-21)23-8-13(22)18-12-6-4-3-5-11(12)16/h3-7H,8H2,1-2H3,(H,18,22)

InChI Key

JGOHUGURRVIBIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05858323

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.357

Distribution Coefficient, logD

2.357

Water Solubility, LogSw

-2.96

Polar Surface Area

51.732

Acid Dissociation Constant (pKa)

10.91

Base Dissociation Constant (pKb)

2.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 8016-6841 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-6841?
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What is the minimum amount of 8016-6841 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-6841
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-6841
  • 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 8016-6841 available by request