Y020-8656 Screening compound: 2-(2-furylmethyl)-6-[4-(methylsulfanyl)phenyl]-2,3,4,6-tetrahydro-1H-[1,3,5]triazino[1',2':3,4][1,3,5]triazino[1,2-a][1,3]benzimidazole

Y020-8656 Screening compound: 2-(2-furylmethyl)-6-[4-(methylsulfanyl)phenyl]-2,3,4,6-tetrahydro-1H-[1,3,5]triazino[1',2':3,4][1,3,5]triazino[1,2-a][1,3]benzimidazole
Y020-8656 Screening compound: 2-(2-furylmethyl)-6-[4-(methylsulfanyl)phenyl]-2,3,4,6-tetrahydro-1H-[1,3,5]triazino[1',2':3,4][1,3,5]triazino[1,2-a][1,3]benzimidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-8656
2-(2-furylmethyl)-6-[4-(methylsulfanyl)phenyl]-2,3,4,6-tetrahydro-1H-[1,3,5]triazino[1',2':3,4][1,3,5]triazino[1,2-a][1,3]benzimidazole

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

Y020-8656

Molecular Formula

C23H22N6OS (C23 H22 N6 OS)

Compound Name

2-(2-furylmethyl)-6-[4-(methylsulfanyl)phenyl]-2,3,4,6-tetrahydro-1H-[1,3,5]triazino[1',2':3,4][1,3,5]triazino[1,2-a][1,3]benzimidazole

IUPAC name

4-[(furan-2-yl)methyl]-9-[4-(methylsulfanyl)phenyl]-24681017-hexaazatetracyclo[8.7.0.0^{27}.0^{1116}]heptadeca-1(17)7111315-pentaene

SMILES

CSc1ccc(C2N=C(NCN(Cc3ccco3)C3)N3c3nc(cccc4)c4n23)cc1

InChI

InChI=1S/C23H22N6OS/c1-31-18-10-8-16(9-11-18)21-26-22-24-14-27(13-17-5-4-12-30-17)15-28(22)23-25-19-6-2-3-7-20(19)29(21)23/h2-12,21H,13-15H2,1H3,(H,24,26)/t21-/m1/s1

InChI Key

AQKDQKDOPWZKTG-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD09438826

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.195

Distribution Coefficient, logD

5.113

Water Solubility, LogSw

-5.16

Polar Surface Area

46.411

Acid Dissociation Constant (pKa)

17.91

Base Dissociation Constant (pKb)

6.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with Y020-8656 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-8656?
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What is the minimum amount of Y020-8656 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-8656
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-8656
  • 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 Y020-8656 available by request