7399-0376 Screening compound: 4-(3,4-dimethoxyphenyl)-1,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine

7399-0376 Screening compound: 4-(3,4-dimethoxyphenyl)-1,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine
7399-0376 Screening compound: 4-(3,4-dimethoxyphenyl)-1,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7399-0376
4-(3,4-dimethoxyphenyl)-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

7399-0376

Molecular Formula

C17H17N5O2 (C17 H17 N5 O2)

Compound Name

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

IUPAC name

13-(34-dimethoxyphenyl)-181012-tetraazatricyclo[7.4.0.0^{27}]trideca-246811-pentaen-11-amine

SMILES

COc(ccc(C1N=C(N)Nc2nc(cccc3)c3n12)c1)c1OC

InChI

InChI=1S/C17H17N5O2/c1-23-13-8-7-10(9-14(13)24-2)15-20-16(18)21-17-19-11-5-3-4-6-12(11)22(15)17/h3-9,15H,1-2H3,(H3,18,19,20,21)/t15-/m1/s1

InChI Key

IJYBPRVKTGYSGW-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD05839586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.380

Distribution Coefficient, logD

0.350

Water Solubility, LogSw

-2.94

Polar Surface Area

71.559

Acid Dissociation Constant (pKa)

13.91

Base Dissociation Constant (pKb)

9.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

7399-0376 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

KRAS-Targeted Library (16000 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Targets:
  • Proteases
  • Kinases

References: we are preparing a list of scientific research reports with 7399-0376 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7399-0376?
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What is the minimum amount of 7399-0376 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7399-0376
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7399-0376
  • 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 7399-0376 available by request