K216-0823 Screening compound: 2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N~1~-(3,4-difluorophenyl)acetamide

K216-0823 Screening compound: 2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N~1~-(3,4-difluorophenyl)acetamide
K216-0823 Screening compound: 2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N~1~-(3,4-difluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K216-0823
2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N~1~-(3,4-difluorophenyl)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

K216-0823

Molecular Formula

C15H16F2N4OS (C15 H16 F2 N4 OS)

Compound Name

2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N~1~-(3,4-difluorophenyl)acetamide

IUPAC name

2-[(56-diethyl-124-triazin-3-yl)sulfanyl]-N-(34-difluorophenyl)acetamide

SMILES

CCc1nc(SCC(Nc(cc2)cc(F)c2F)=O)nnc1CC

InChI

InChI=1S/C15H16F2N4OS/c1-3-12-13(4-2)20-21-15(19-12)23-8-14(22)18-9-5-6-10(16)11(17)7-9/h5-7H,3-4,8H2,1-2H3,(H,18,22)

InChI Key

NOFRUHHQMJXOOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03018163

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.172

Distribution Coefficient, logD

3.164

Water Solubility, LogSw

-3.34

Polar Surface Area

56.068

Acid Dissociation Constant (pKa)

9.12

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

K216-0823 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K216-0823 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K216-0823?
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What is the minimum amount of K216-0823 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K216-0823
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K216-0823
  • 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 K216-0823 available by request