8010-4172 Screening compound: 6-(1,3-benzoxazol-2-ylsulfanyl)-N2,N4-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine

8010-4172 Screening compound: 6-(1,3-benzoxazol-2-ylsulfanyl)-N2,N4-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
8010-4172 Screening compound: 6-(1,3-benzoxazol-2-ylsulfanyl)-N2,N4-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-4172
6-(1,3-benzoxazol-2-ylsulfanyl)-N2,N4-bis(4-methoxyphenyl)-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

8010-4172

Molecular Formula

C24H20N6O3S (C24 H20 N6 O3 S)

Compound Name

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

IUPAC name

6-(13-benzoxazol-2-ylsulfanyl)-N2N4-bis(4-methoxyphenyl)-135-triazine-24-diamine

SMILES

COc(cc1)ccc1Nc1nc(Sc2nc(cccc3)c3o2)nc(Nc(cc2)ccc2OC)n1

InChI

InChI=1S/C24H20N6O3S/c1-31-17-11-7-15(8-12-17)25-21-28-22(26-16-9-13-18(32-2)14-10-16)30-23(29-21)34-24-27-19-5-3-4-6-20(19)33-24/h3-14H,1-2H3,(H2,25,26,28,29,30)

InChI Key

ZQYCIFRLCWQZGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01564109

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

7.310

Distribution Coefficient, logD

7.310

Water Solubility, LogSw

-6.01

Polar Surface Area

80.399

Acid Dissociation Constant (pKa)

18.63

Base Dissociation Constant (pKb)

2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

References: we are preparing a list of scientific research reports with 8010-4172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-4172?
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What is the minimum amount of 8010-4172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-4172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-4172
  • 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 8010-4172 available by request