Y020-8502 Screening compound: N-(5-cycloheptyl-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl)propane-2-sulfonamide

Y020-8502 Screening compound: N-(5-cycloheptyl-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl)propane-2-sulfonamide
Y020-8502 Screening compound: N-(5-cycloheptyl-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl)propane-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-8502
N-(5-cycloheptyl-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl)propane-2-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

Y020-8502

Molecular Formula

C13H26N4O2S (C13 H26 N4 O2 S)

Compound Name

N-(5-cycloheptyl-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl)propane-2-sulfonamide

IUPAC name

N-(5-cycloheptyl-1456-tetrahydro-135-triazin-2-yl)propane-2-sulfonamide

SMILES

CC(C)S(NC(NC1)=NCN1C1CCCCCC1)(=O)=O

InChI

InChI=1S/C13H26N4O2S/c1-11(2)20(18,19)16-13-14-9-17(10-15-13)12-7-5-3-4-6-8-12/h11-12H,3-10H2,1-2H3,(H2,14,15,16)

InChI Key

OXQASPVXXOFXJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15195753

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.627

Distribution Coefficient, logD

2.627

Water Solubility, LogSw

-3.02

Polar Surface Area

64.937

Acid Dissociation Constant (pKa)

9.24

Base Dissociation Constant (pKb)

8.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

92.30

Y020-8502 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y020-8502 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-8502?
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What is the minimum amount of Y020-8502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-8502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-8502
  • 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 Y020-8502 available by request