4477-1626 Screening compound: 6-(1,3-benzoxazol-2-ylsulfanyl)-N2,N4-bis(4-chloro-3-methylphenyl)-1,3,5-triazine-2,4-diamine

4477-1626 Screening compound: 6-(1,3-benzoxazol-2-ylsulfanyl)-N2,N4-bis(4-chloro-3-methylphenyl)-1,3,5-triazine-2,4-diamine
4477-1626 Screening compound: 6-(1,3-benzoxazol-2-ylsulfanyl)-N2,N4-bis(4-chloro-3-methylphenyl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4477-1626
6-(1,3-benzoxazol-2-ylsulfanyl)-N2,N4-bis(4-chloro-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

4477-1626

Molecular Formula

C24H18Cl2N6OS (C24 H18 Cl2 N6 OS)

Compound Name

6-(1,3-benzoxazol-2-ylsulfanyl)-N2,N4-bis(4-chloro-3-methylphenyl)-1,3,5-triazine-2,4-diamine

IUPAC name

6-(13-benzoxazol-2-ylsulfanyl)-N2N4-bis(4-chloro-3-methylphenyl)-135-triazine-24-diamine

SMILES

Cc(cc(cc1)Nc2nc(Nc(cc3)cc(C)c3Cl)nc(Sc3nc(cccc4)c4o3)n2)c1Cl

InChI

InChI=1S/C24H18Cl2N6OS/c1-13-11-15(7-9-17(13)25)27-21-30-22(28-16-8-10-18(26)14(2)12-16)32-23(31-21)34-24-29-19-5-3-4-6-20(19)33-24/h3-12H,1-2H3,(H2,27,28,30,31,32)

InChI Key

VOEFGPRKBDILKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01859104

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

9.806

Distribution Coefficient, logD

9.806

Water Solubility, LogSw

-6.70

Polar Surface Area

65.312

Acid Dissociation Constant (pKa)

17.34

Base Dissociation Constant (pKb)

4.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

4477-1626 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 4477-1626 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4477-1626?
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What is the minimum amount of 4477-1626 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4477-1626
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4477-1626
  • 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 4477-1626 available by request