8016-7777 Screening compound: 4-(5-methoxy-1H-indol-3-yl)-3,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine

8016-7777 Screening compound: 4-(5-methoxy-1H-indol-3-yl)-3,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine
8016-7777 Screening compound: 4-(5-methoxy-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 8016-7777
4-(5-methoxy-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

8016-7777

Molecular Formula

C18H16N6O (C18 H16 N6 O)

Compound Name

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

IUPAC name

13-(5-methoxy-1H-indol-3-yl)-181012-tetraazatricyclo[7.4.0.0^{27}]trideca-246810-pentaen-11-amine

SMILES

COc(cc1)cc2c1[nH]cc2C(NC(N)=N1)n2c1nc1c2cccc1

InChI

InChI=1S/C18H16N6O/c1-25-10-6-7-13-11(8-10)12(9-20-13)16-22-17(19)23-18-21-14-4-2-3-5-15(14)24(16)18/h2-9,16,20H,1H3,(H3,19,21,22,23)/t16-/m0/s1

InChI Key

DCMZSUVXBFSDQK-INIZCTEOSA-N

MDL Number (MFCD)

MFCD05859136

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.36

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.626

Distribution Coefficient, logD

0.469

Water Solubility, LogSw

-3.07

Polar Surface Area

73.713

Acid Dissociation Constant (pKa)

13.41

Base Dissociation Constant (pKb)

9.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.11

8016-7777 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Proteases
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8016-7777 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-7777?
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What is the minimum amount of 8016-7777 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-7777
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-7777
  • 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 8016-7777 available by request