5594-0870 Screening compound: N2,N4-bis(3,4-dimethylphenyl)-6-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1,3,5-triazine-2,4-diamine

5594-0870 Screening compound: N2,N4-bis(3,4-dimethylphenyl)-6-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1,3,5-triazine-2,4-diamine
5594-0870 Screening compound: N2,N4-bis(3,4-dimethylphenyl)-6-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5594-0870
N2,N4-bis(3,4-dimethylphenyl)-6-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1,3,5-triazine-2,4-diamine

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

5594-0870

Molecular Formula

C28H28N6OS2 (C28 H28 N6 OS2)

Compound Name

N2,N4-bis(3,4-dimethylphenyl)-6-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1,3,5-triazine-2,4-diamine

IUPAC name

N2N4-bis(34-dimethylphenyl)-6-[(6-ethoxy-13-benzothiazol-2-yl)sulfanyl]-135-triazine-24-diamine

SMILES

CCOc(cc1)cc2c1nc(Sc1nc(Nc3cc(C)c(C)cc3)nc(Nc3cc(C)c(C)cc3)n1)s2

InChI

InChI=1S/C28H28N6OS2/c1-6-35-22-11-12-23-24(15-22)36-28(31-23)37-27-33-25(29-20-9-7-16(2)18(4)13-20)32-26(34-27)30-21-10-8-17(3)19(5)14-21/h7-15H,6H2,1-5H3,(H2,29,30,32,33,34)

InChI Key

SEZYZWXOXJZVEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01563301

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.7

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

10.299

Distribution Coefficient, logD

10.297

Water Solubility, LogSw

-5.78

Polar Surface Area

64.854

Acid Dissociation Constant (pKa)

19.02

Base Dissociation Constant (pKb)

5.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

5594-0870 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 5594-0870 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5594-0870?
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What is the minimum amount of 5594-0870 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5594-0870
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5594-0870
  • 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 5594-0870 available by request