7399-0379 Screening compound: 4-(2,3,4-trimethoxyphenyl)-1,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine

7399-0379 Screening compound: 4-(2,3,4-trimethoxyphenyl)-1,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine
7399-0379 Screening compound: 4-(2,3,4-trimethoxyphenyl)-1,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7399-0379
4-(2,3,4-trimethoxyphenyl)-1,4-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

7399-0379

Molecular Formula

C18H19N5O3 (C18 H19 N5 O3)

Compound Name

4-(2,3,4-trimethoxyphenyl)-1,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine

IUPAC name

13-(234-trimethoxyphenyl)-181012-tetraazatricyclo[7.4.0.0^{27}]trideca-246811-pentaen-11-amine

SMILES

COc1ccc(C2N=C(N)Nc3nc(cccc4)c4n23)c(OC)c1OC

InChI

InChI=1S/C18H19N5O3/c1-24-13-9-8-10(14(25-2)15(13)26-3)16-21-17(19)22-18-20-11-6-4-5-7-12(11)23(16)18/h4-9,16H,1-3H3,(H3,19,20,21,22)/t16-/m1/s1

InChI Key

BRFPKZILQHSRTP-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD05839589

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.626

Distribution Coefficient, logD

0.646

Water Solubility, LogSw

-3.07

Polar Surface Area

79.363

Acid Dissociation Constant (pKa)

13.91

Base Dissociation Constant (pKb)

9.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

7399-0379 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 7399-0379 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7399-0379?
Check Price and Availability of 7399-0379, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 7399-0379 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7399-0379
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7399-0379
  • 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 7399-0379 available by request