8017-2717 Screening compound: 4-{2-[1-{[3-(2-morpholinoethyl)-3,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-1(2H)-yl]methyl}-1,2-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-3(4H)-yl]ethyl}morpholine

8017-2717 Screening compound: 4-{2-[1-{[3-(2-morpholinoethyl)-3,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-1(2H)-yl]methyl}-1,2-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-3(4H)-yl]ethyl}morpholine
8017-2717 Screening compound: 4-{2-[1-{[3-(2-morpholinoethyl)-3,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-1(2H)-yl]methyl}-1,2-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-3(4H)-yl]ethyl}morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-2717
4-{2-[1-{[3-(2-morpholinoethyl)-3,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-1(2H)-yl]methyl}-1,2-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-3(4H)-yl]ethyl}morpholine

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

8017-2717

Molecular Formula

C31H42N10O2 (C31 H42 N10 O2)

Compound Name

4-{2-[1-{[3-(2-morpholinoethyl)-3,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-1(2H)-yl]methyl}-1,2-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-3(4H)-yl]ethyl}morpholine

IUPAC name

12-[2-(morpholin-4-yl)ethyl]-10-({12-[2-(morpholin-4-yl)ethyl]-181012-tetraazatricyclo[7.4.0.0^{27}]trideca-2468-tetraen-10-yl}methyl)-181012-tetraazatricyclo[7.4.0.0^{27}]trideca-2468-tetraene

SMILES

C(CN1CN(CN2c3nc(cccc4)c4n3CN(CCN3CCOCC3)C2)c2nc(cccc3)c3n2C1)N1CCOCC1

InChI

InChI=1S/C31H42N10O2/c1-3-7-28-26(5-1)32-30-38(21-36(23-40(28)30)11-9-34-13-17-42-18-14-34)25-39-22-37(12-10-35-15-19-43-20-16-35)24-41-29-8-4-2-6-27(29)33-31(39)41/h1-8H,9-25H2

InChI Key

CBDFOMJYUDZVLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06015492

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

586.74

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

3.707

Distribution Coefficient, logD

3.438

Water Solubility, LogSw

-3.91

Polar Surface Area

60.692

Acid Dissociation Constant (pKa)

19.37

Base Dissociation Constant (pKb)

7.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.84

8017-2717 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-2717 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8017-2717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-2717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-2717
  • 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 8017-2717 available by request