8399-0697 Screening compound: 4-methyl-N-[5-(propan-2-yl)-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl]benzene-1-sulfonamide

8399-0697 Screening compound: 4-methyl-N-[5-(propan-2-yl)-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl]benzene-1-sulfonamide
8399-0697 Screening compound: 4-methyl-N-[5-(propan-2-yl)-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8399-0697
4-methyl-N-[5-(propan-2-yl)-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

8399-0697

Molecular Formula

C13H20N4O2S (C13 H20 N4 O2 S)

Compound Name

4-methyl-N-[5-(propan-2-yl)-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl]benzene-1-sulfonamide

IUPAC name

4-methyl-N-[5-(propan-2-yl)-1456-tetrahydro-135-triazin-2-yl]benzene-1-sulfonamide

SMILES

CC(C)N1CN=C(NS(c2ccc(C)cc2)(=O)=O)NC1

InChI

InChI=1S/C13H20N4O2S/c1-10(2)17-8-14-13(15-9-17)16-20(18,19)12-6-4-11(3)5-7-12/h4-7,10H,8-9H2,1-3H3,(H2,14,15,16)

InChI Key

OKOZBVDZFRUYAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07181506

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.39

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

2.133

Distribution Coefficient, logD

2.133

Water Solubility, LogSw

-2.89

Polar Surface Area

65.105

Acid Dissociation Constant (pKa)

7.80

Base Dissociation Constant (pKb)

8.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

8399-0697 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 8399-0697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8399-0697?
Check Price and Availability of 8399-0697, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8399-0697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8399-0697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8399-0697
  • 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 8399-0697 available by request