Y020-3027 Screening compound: N-{5-[(2H-1,3-benzodioxol-5-yl)methyl]-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl}-4-fluorobenzene-1-sulfonamide

Y020-3027 Screening compound: N-{5-[(2H-1,3-benzodioxol-5-yl)methyl]-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl}-4-fluorobenzene-1-sulfonamide
Y020-3027 Screening compound: N-{5-[(2H-1,3-benzodioxol-5-yl)methyl]-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl}-4-fluorobenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-3027
N-{5-[(2H-1,3-benzodioxol-5-yl)methyl]-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl}-4-fluorobenzene-1-sulfonamide

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

Y020-3027

Molecular Formula

C17H17FN4O4S (C17 H17 FN4 O4 S)

Compound Name

N-{5-[(2H-1,3-benzodioxol-5-yl)methyl]-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl}-4-fluorobenzene-1-sulfonamide

IUPAC name

N-{5-[(2H-13-benzodioxol-5-yl)methyl]-1456-tetrahydro-135-triazin-2-yl}-4-fluorobenzene-1-sulfonamide

SMILES

O=S(c(cc1)ccc1F)(NC1=NCN(Cc(cc2)cc3c2OCO3)CN1)=O

InChI

InChI=1S/C17H17FN4O4S/c18-13-2-4-14(5-3-13)27(23,24)21-17-19-9-22(10-20-17)8-12-1-6-15-16(7-12)26-11-25-15/h1-7H,8-11H2,(H2,19,20,21)

InChI Key

PDOAJGRWKCDUBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12212911

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.290

Distribution Coefficient, logD

2.290

Water Solubility, LogSw

-2.96

Polar Surface Area

81.897

Acid Dissociation Constant (pKa)

7.38

Base Dissociation Constant (pKb)

5.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

Y020-3027 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y020-3027 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of Y020-3027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-3027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-3027
  • 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 Y020-3027 available by request