K216-0820 Screening compound: 2-{[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-tert-butylacetamide

K216-0820 Screening compound: 2-{[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-tert-butylacetamide
K216-0820 Screening compound: 2-{[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-tert-butylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K216-0820
2-{[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-tert-butylacetamide

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

K216-0820

Molecular Formula

C23H26N4O3S (C23 H26 N4 O3 S)

Compound Name

2-{[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-tert-butylacetamide

IUPAC name

2-{[56-bis(4-methoxyphenyl)-124-triazin-3-yl]sulfanyl}-N-tert-butylacetamide

SMILES

CC(C)(C)NC(CSc1nnc(-c(cc2)ccc2OC)c(-c(cc2)ccc2OC)n1)=O

InChI

InChI=1S/C23H26N4O3S/c1-23(2,3)25-19(28)14-31-22-24-20(15-6-10-17(29-4)11-7-15)21(26-27-22)16-8-12-18(30-5)13-9-16/h6-13H,14H2,1-5H3,(H,25,28)

InChI Key

DQEODSVHSOLGCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02321700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.008

Distribution Coefficient, logD

4.008

Water Solubility, LogSw

-4.15

Polar Surface Area

70.039

Acid Dissociation Constant (pKa)

15.35

Base Dissociation Constant (pKb)

5.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

K216-0820 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with K216-0820 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K216-0820?
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What is the minimum amount of K216-0820 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K216-0820
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K216-0820
  • 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 K216-0820 available by request