K216-0947 Screening compound: 2-{[5,6-bis(3-fluorophenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-cyclohexylacetamide

K216-0947 Screening compound: 2-{[5,6-bis(3-fluorophenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-cyclohexylacetamide
K216-0947 Screening compound: 2-{[5,6-bis(3-fluorophenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-cyclohexylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K216-0947
2-{[5,6-bis(3-fluorophenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-cyclohexylacetamide

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

K216-0947

Molecular Formula

C23H22F2N4OS (C23 H22 F2 N4 OS)

Compound Name

2-{[5,6-bis(3-fluorophenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-cyclohexylacetamide

IUPAC name

2-{[56-bis(3-fluorophenyl)-124-triazin-3-yl]sulfanyl}-N-cyclohexylacetamide

SMILES

O=C(CSc1nnc(-c2cc(F)ccc2)c(-c2cc(F)ccc2)n1)NC1CCCCC1

InChI

InChI=1S/C23H22F2N4OS/c24-17-8-4-6-15(12-17)21-22(16-7-5-9-18(25)13-16)28-29-23(27-21)31-14-20(30)26-19-10-2-1-3-11-19/h4-9,12-13,19H,1-3,10-11,14H2,(H,26,30)

InChI Key

KIJWSAZNUPHJAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15081340

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.52

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

4.947

Distribution Coefficient, logD

4.947

Water Solubility, LogSw

-4.81

Polar Surface Area

55.582

Acid Dissociation Constant (pKa)

15.76

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with K216-0947 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K216-0947?
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What is the minimum amount of K216-0947 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K216-0947
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K216-0947
  • 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 K216-0947 available by request