K784-9113 Screening compound: 3-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N~1~-phenethylpropanamide

K784-9113 Screening compound: 3-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N~1~-phenethylpropanamide
K784-9113 Screening compound: 3-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N~1~-phenethylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-9113
3-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N~1~-phenethylpropanamide

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

K784-9113

Molecular Formula

C18H21N5OS (C18 H21 N5 OS)

Compound Name

3-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N~1~-phenethylpropanamide

IUPAC name

n/a

SMILES

Cc1cc(C)nc2nc(SCCC(NCCc3ccccc3)=O)nn12

InChI

InChI=1S/C18H21N5OS/c1-13-12-14(2)23-17(20-13)21-18(22-23)25-11-9-16(24)19-10-8-15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3,(H,19,24)

InChI Key

OZDMRJKECLBZNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15099331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.606

Distribution Coefficient, logD

1.606

Water Solubility, LogSw

-2.36

Polar Surface Area

53.593

Acid Dissociation Constant (pKa)

14.31

Base Dissociation Constant (pKb)

3.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

K784-9113 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with K784-9113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-9113?
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What is the minimum amount of K784-9113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-9113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-9113
  • 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 K784-9113 available by request