Y020-8460 Screening compound: 4-(4-chloro-2-fluorophenyl)-1,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine

Y020-8460 Screening compound: 4-(4-chloro-2-fluorophenyl)-1,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine
Y020-8460 Screening compound: 4-(4-chloro-2-fluorophenyl)-1,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-8460
4-(4-chloro-2-fluorophenyl)-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

Y020-8460

Molecular Formula

C15H11ClFN5 (C15 H11 ClFN5)

Compound Name

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

IUPAC name

13-(4-chloro-2-fluorophenyl)-181012-tetraazatricyclo[7.4.0.0^{27}]trideca-246811-pentaen-11-amine

SMILES

NC(N1)=NC(c(ccc(Cl)c2)c2F)n2c1nc1c2cccc1

InChI

InChI=1S/C15H11ClFN5/c16-8-5-6-9(10(17)7-8)13-20-14(18)21-15-19-11-3-1-2-4-12(11)22(13)15/h1-7,13H,(H3,18,19,20,21)/t13-/m1/s1

InChI Key

UXQKKOKMZFJCIF-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD13817052

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.74

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

3.707

Distribution Coefficient, logD

2.438

Water Solubility, LogSw

-4.22

Polar Surface Area

56.299

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

8.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

6.70

Y020-8460 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y020-8460 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-8460?
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What is the minimum amount of Y020-8460 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-8460
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-8460
  • 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 Y020-8460 available by request