7752-0110 Screening compound: 4-(3-methylphenyl)-1,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine

7752-0110 Screening compound: 4-(3-methylphenyl)-1,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine
7752-0110 Screening compound: 4-(3-methylphenyl)-1,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7752-0110
4-(3-methylphenyl)-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

7752-0110

Molecular Formula

C16H15N5 (C16 H15 N5)

Compound Name

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

IUPAC name

13-(3-methylphenyl)-181012-tetraazatricyclo[7.4.0.0^{27}]trideca-246811-pentaen-11-amine

SMILES

Cc1cccc(C2N=C(N)Nc3nc(cccc4)c4n23)c1

InChI

InChI=1S/C16H15N5/c1-10-5-4-6-11(9-10)14-19-15(17)20-16-18-12-7-2-3-8-13(12)21(14)16/h2-9,14H,1H3,(H3,17,18,19,20)/t14-/m1/s1

InChI Key

WFAMZPJWXIREJC-CQSZACIVSA-N

MDL Number (MFCD)

MFCD02699607

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

277.33

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.256

Distribution Coefficient, logD

1.649

Water Solubility, LogSw

-3.17

Polar Surface Area

56.299

Acid Dissociation Constant (pKa)

13.91

Base Dissociation Constant (pKb)

9.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

7752-0110 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS Annotated Library (688 compounds)

KRAS-Targeted Library (16000 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 7752-0110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7752-0110?
Check Price and Availability of 7752-0110, 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 7752-0110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7752-0110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7752-0110
  • 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 7752-0110 available by request