7752-0114 Screening compound: 4-(3-nitrophenyl)-1,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine

7752-0114 Screening compound: 4-(3-nitrophenyl)-1,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine
7752-0114 Screening compound: 4-(3-nitrophenyl)-1,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7752-0114
4-(3-nitrophenyl)-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

7752-0114

Molecular Formula

C15H12N6O2 (C15 H12 N6 O2)

Compound Name

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

IUPAC name

n/a

SMILES

NC(N1)=NC(c2cccc([N+]([O-])=O)c2)n2c1nc1c2cccc1

InChI

InChI=1S/C15H12N6O2/c16-14-18-13(9-4-3-5-10(8-9)21(22)23)20-12-7-2-1-6-11(12)17-15(20)19-14/h1-8,13H,(H3,16,17,18,19)/t13-/m1/s1

InChI Key

MKPGPLNWEGNLML-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD03480133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.590

Distribution Coefficient, logD

2.257

Water Solubility, LogSw

-3.07

Polar Surface Area

89.680

Acid Dissociation Constant (pKa)

13.91

Base Dissociation Constant (pKb)

7.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

2.00

References: we are preparing a list of scientific research reports with 7752-0114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7752-0114?
Check Price and Availability of 7752-0114, 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 7752-0114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7752-0114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7752-0114
  • 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 7752-0114 available by request