4477-1156 Screening compound: 6-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N2,N4-bis(3-methylphenyl)-1,3,5-triazine-2,4-diamine

4477-1156 Screening compound: 6-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N2,N4-bis(3-methylphenyl)-1,3,5-triazine-2,4-diamine
4477-1156 Screening compound: 6-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N2,N4-bis(3-methylphenyl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4477-1156
6-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N2,N4-bis(3-methylphenyl)-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

4477-1156

Molecular Formula

C26H24N6OS2 (C26 H24 N6 OS2)

Compound Name

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

IUPAC name

6-[(6-ethoxy-13-benzothiazol-2-yl)sulfanyl]-N2N4-bis(3-methylphenyl)-135-triazine-24-diamine

SMILES

CCOc(cc1)cc2c1nc(Sc1nc(Nc3cc(C)ccc3)nc(Nc3cc(C)ccc3)n1)s2

InChI

InChI=1S/C26H24N6OS2/c1-4-33-20-11-12-21-22(15-20)34-26(29-21)35-25-31-23(27-18-9-5-7-16(2)13-18)30-24(32-25)28-19-10-6-8-17(3)14-19/h5-15H,4H2,1-3H3,(H2,27,28,30,31,32)

InChI Key

KKKIXGBJUFSBMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01560795

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.65

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

9.044

Distribution Coefficient, logD

9.042

Water Solubility, LogSw

-5.82

Polar Surface Area

64.854

Acid Dissociation Constant (pKa)

19.14

Base Dissociation Constant (pKb)

5.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

4477-1156 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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 4477-1156 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4477-1156?
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What is the minimum amount of 4477-1156 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4477-1156
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4477-1156
  • 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 4477-1156 available by request