6882-0136 Screening compound: 4-(3-bromophenyl)-1,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine

6882-0136 Screening compound: 4-(3-bromophenyl)-1,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine
6882-0136 Screening compound: 4-(3-bromophenyl)-1,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6882-0136
4-(3-bromophenyl)-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

6882-0136

Molecular Formula

C15H12BrN5 (C15 H12 BrN5)

Compound Name

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

IUPAC name

13-(3-bromophenyl)-181012-tetraazatricyclo[7.4.0.0^{27}]trideca-2(7)35811-pentaen-11-amine

SMILES

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

InChI

InChI=1S/C15H12BrN5/c16-10-5-3-4-9(8-10)13-19-14(17)20-15-18-11-6-1-2-7-12(11)21(13)15/h1-8,13H,(H3,17,18,19,20)/t13-/m1/s1

InChI Key

FAMVHKXJMQXQBF-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD02699601

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.2

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

3.564

Distribution Coefficient, logD

2.342

Water Solubility, LogSw

-3.77

Polar Surface Area

56.299

Acid Dissociation Constant (pKa)

13.91

Base Dissociation Constant (pKb)

8.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

6.70

6882-0136 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6882-0136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6882-0136?
Check Price and Availability of 6882-0136, 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 6882-0136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6882-0136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6882-0136
  • 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 6882-0136 available by request