3505-6176 Screening compound: 6-(1H-1,3-benzodiazol-2-ylsulfanyl)-N2,N4-bis(4-ethoxyphenyl)-1,3,5-triazine-2,4-diamine

3505-6176 Screening compound: 6-(1H-1,3-benzodiazol-2-ylsulfanyl)-N2,N4-bis(4-ethoxyphenyl)-1,3,5-triazine-2,4-diamine
3505-6176 Screening compound: 6-(1H-1,3-benzodiazol-2-ylsulfanyl)-N2,N4-bis(4-ethoxyphenyl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3505-6176
6-(1H-1,3-benzodiazol-2-ylsulfanyl)-N2,N4-bis(4-ethoxyphenyl)-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

3505-6176

Molecular Formula

C26H25N7O2S (C26 H25 N7 O2 S)

Compound Name

6-(1H-1,3-benzodiazol-2-ylsulfanyl)-N2,N4-bis(4-ethoxyphenyl)-1,3,5-triazine-2,4-diamine

IUPAC name

6-(1H-13-benzodiazol-2-ylsulfanyl)-N2N4-bis(4-ethoxyphenyl)-135-triazine-24-diamine

SMILES

CCOc(cc1)ccc1Nc1nc(Sc2nc(cccc3)c3[nH]2)nc(Nc(cc2)ccc2OCC)n1

InChI

InChI=1S/C26H25N7O2S/c1-3-34-19-13-9-17(10-14-19)27-23-31-24(28-18-11-15-20(16-12-18)35-4-2)33-26(32-23)36-25-29-21-7-5-6-8-22(21)30-25/h5-16H,3-4H2,1-2H3,(H,29,30)(H2,27,28,31,32,33)

InChI Key

XZBTYTXWKRVZPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01975596

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

7.285

Distribution Coefficient, logD

6.620

Water Solubility, LogSw

-5.93

Polar Surface Area

80.909

Acid Dissociation Constant (pKa)

12.88

Base Dissociation Constant (pKb)

7.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with 3505-6176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3505-6176?
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What is the minimum amount of 3505-6176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3505-6176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3505-6176
  • 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 3505-6176 available by request