7752-0112 Screening compound: 3-(2-amino-1,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-4-yl)phenol

7752-0112 Screening compound: 3-(2-amino-1,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-4-yl)phenol
7752-0112 Screening compound: 3-(2-amino-1,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-4-yl)phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 7752-0112
3-(2-amino-1,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-4-yl)phenol

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

7752-0112

Molecular Formula

C15H13N5O (C15 H13 N5 O)

Compound Name

3-(2-amino-1,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-4-yl)phenol

IUPAC name

3-{11-amino-181012-tetraazatricyclo[7.4.0.0^{27}]trideca-246811-pentaen-13-yl}phenol

SMILES

NC(N1)=NC(c2cccc(O)c2)n2c1nc1c2cccc1

InChI

InChI=1S/C15H13N5O/c16-14-18-13(9-4-3-5-10(21)8-9)20-12-7-2-1-6-11(12)17-15(20)19-14/h1-8,13,21H,(H3,16,17,18,19)

InChI Key

UJXNLWAADFYTII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02699600

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.3

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.280

Distribution Coefficient, logD

0.781

Water Solubility, LogSw

-1.98

Polar Surface Area

73.916

Acid Dissociation Constant (pKa)

9.26

Base Dissociation Constant (pKb)

8.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

6.67

7752-0112 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 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
  • Pool

References: we are preparing a list of scientific research reports with 7752-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7752-0112?
Check Price and Availability of 7752-0112, 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 7752-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7752-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7752-0112
  • 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 7752-0112 available by request