Y020-3076 Screening compound: 4-bromo-N-{5-[2-(thiophen-2-yl)ethyl]-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl}benzene-1-sulfonamide

Y020-3076 Screening compound: 4-bromo-N-{5-[2-(thiophen-2-yl)ethyl]-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl}benzene-1-sulfonamide
Y020-3076 Screening compound: 4-bromo-N-{5-[2-(thiophen-2-yl)ethyl]-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-3076
4-bromo-N-{5-[2-(thiophen-2-yl)ethyl]-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl}benzene-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

Y020-3076

Molecular Formula

C15H17BrN4O2S2 (C15 H17 BrN4 O2 S2)

Compound Name

4-bromo-N-{5-[2-(thiophen-2-yl)ethyl]-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl}benzene-1-sulfonamide

IUPAC name

4-bromo-N-{5-[2-(thiophen-2-yl)ethyl]-1456-tetrahydro-135-triazin-2-yl}benzene-1-sulfonamide

SMILES

O=S(c(cc1)ccc1Br)(NC1=NCN(CCc2cccs2)CN1)=O

InChI

InChI=1S/C15H17BrN4O2S2/c16-12-3-5-14(6-4-12)24(21,22)19-15-17-10-20(11-18-15)8-7-13-2-1-9-23-13/h1-6,9H,7-8,10-11H2,(H2,17,18,19)

InChI Key

MLIZUFMREIVCHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13372298

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.361

Distribution Coefficient, logD

3.361

Water Solubility, LogSw

-3.60

Polar Surface Area

65.778

Acid Dissociation Constant (pKa)

7.38

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

Y020-3076 in Drug Discovery

Included in Screening Libraries

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 Y020-3076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-3076?
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What is the minimum amount of Y020-3076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-3076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-3076
  • 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 Y020-3076 available by request