K216-2534 Screening compound: 5,6-bis(3,4-dimethoxyphenyl)-3-{[(4-nitrophenyl)methyl]sulfanyl}-1,2,4-triazine

K216-2534 Screening compound: 5,6-bis(3,4-dimethoxyphenyl)-3-{[(4-nitrophenyl)methyl]sulfanyl}-1,2,4-triazine
K216-2534 Screening compound: 5,6-bis(3,4-dimethoxyphenyl)-3-{[(4-nitrophenyl)methyl]sulfanyl}-1,2,4-triazine alternative view

Chemical Structure Depiction of ChemDiv screening compound K216-2534
5,6-bis(3,4-dimethoxyphenyl)-3-{[(4-nitrophenyl)methyl]sulfanyl}-1,2,4-triazine

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

K216-2534

Molecular Formula

C26H24N4O6S (C26 H24 N4 O6 S)

Compound Name

5,6-bis(3,4-dimethoxyphenyl)-3-{[(4-nitrophenyl)methyl]sulfanyl}-1,2,4-triazine

IUPAC name

56-bis(34-dimethoxyphenyl)-3-{[(4-nitrophenyl)methyl]sulfanyl}-124-triazine

SMILES

COc(ccc(-c1nc(SCc(cc2)ccc2[N+]([O-])=O)nnc1-c(cc1)cc(OC)c1OC)c1)c1OC

InChI

InChI=1S/C26H24N4O6S/c1-33-20-11-7-17(13-22(20)35-3)24-25(18-8-12-21(34-2)23(14-18)36-4)28-29-26(27-24)37-15-16-5-9-19(10-6-16)30(31)32/h5-14H,15H2,1-4H3

InChI Key

SEHNBMHXXGMLJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15081489

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.57

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.305

Distribution Coefficient, logD

4.305

Water Solubility, LogSw

-4.47

Polar Surface Area

95.288

Acid Dissociation Constant (pKa)

21.99

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

K216-2534 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with K216-2534 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K216-2534?
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What is the minimum amount of K216-2534 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K216-2534
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K216-2534
  • 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 K216-2534 available by request