Y020-1113 Screening compound: N2-(4-fluorophenyl)-6-(3-methyl-1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine

Y020-1113 Screening compound: N2-(4-fluorophenyl)-6-(3-methyl-1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine
Y020-1113 Screening compound: N2-(4-fluorophenyl)-6-(3-methyl-1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-1113
N2-(4-fluorophenyl)-6-(3-methyl-1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine

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

Y020-1113

Molecular Formula

C18H14FN5O (C18 H14 FN5 O)

Compound Name

N2-(4-fluorophenyl)-6-(3-methyl-1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine

IUPAC name

N2-(4-fluorophenyl)-6-(3-methyl-1-benzofuran-2-yl)-135-triazine-24-diamine

SMILES

Cc1c(-c2nc(Nc(cc3)ccc3F)nc(N)n2)oc2c1cccc2

InChI

InChI=1S/C18H14FN5O/c1-10-13-4-2-3-5-14(13)25-15(10)16-22-17(20)24-18(23-16)21-12-8-6-11(19)7-9-12/h2-9H,1H3,(H3,20,21,22,23,24)

InChI Key

UXYJKRZHUCDGEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05839687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.871

Distribution Coefficient, logD

4.871

Water Solubility, LogSw

-4.92

Polar Surface Area

68.872

Acid Dissociation Constant (pKa)

17.73

Base Dissociation Constant (pKb)

3.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

Y020-1113 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y020-1113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-1113?
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What is the minimum amount of Y020-1113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-1113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-1113
  • 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 Y020-1113 available by request