8016-7778 Screening compound: 4-(1-benzyl-4,6-dimethoxy-1H-indol-3-yl)-3,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine

8016-7778 Screening compound: 4-(1-benzyl-4,6-dimethoxy-1H-indol-3-yl)-3,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine
8016-7778 Screening compound: 4-(1-benzyl-4,6-dimethoxy-1H-indol-3-yl)-3,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-7778
4-(1-benzyl-4,6-dimethoxy-1H-indol-3-yl)-3,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine

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

8016-7778

Molecular Formula

C26H24N6O2 (C26 H24 N6 O2)

Compound Name

4-(1-benzyl-4,6-dimethoxy-1H-indol-3-yl)-3,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine

IUPAC name

13-(1-benzyl-46-dimethoxy-1H-indol-3-yl)-181012-tetraazatricyclo[7.4.0.0^{27}]trideca-246810-pentaen-11-amine

SMILES

COc1cc(OC)c(c(C(NC(N)=N2)n3c2nc2c3cccc2)cn2Cc3ccccc3)c2c1

InChI

InChI=1S/C26H24N6O2/c1-33-17-12-21-23(22(13-17)34-2)18(15-31(21)14-16-8-4-3-5-9-16)24-29-25(27)30-26-28-19-10-6-7-11-20(19)32(24)26/h3-13,15,24H,14H2,1-2H3,(H3,27,28,29,30)/t24-/m0/s1

InChI Key

FYCQSEXPBMMTDQ-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD05859137

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.894

Distribution Coefficient, logD

1.738

Water Solubility, LogSw

-4.31

Polar Surface Area

73.205

Acid Dissociation Constant (pKa)

13.41

Base Dissociation Constant (pKb)

9.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

8016-7778 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

KRAS-Targeted Library (16000 compounds)

Antibacterial Compounds Library (13827 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Infections
  • Immune system
  • animal
Targets:
  • Proteases
  • Kinases

References: we are preparing a list of scientific research reports with 8016-7778 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-7778?
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What is the minimum amount of 8016-7778 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-7778
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-7778
  • 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 8016-7778 available by request