C301-4392 Screening compound: N-{7-hydroxy-5-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C301-4392 Screening compound: N-{7-hydroxy-5-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
C301-4392 Screening compound: N-{7-hydroxy-5-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}-5,6,7,8-tetrahydronaphthalene-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-4392
N-{7-hydroxy-5-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}-5,6,7,8-tetrahydronaphthalene-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

C301-4392

Molecular Formula

C19H23N5O3S (C19 H23 N5 O3 S)

Compound Name

N-{7-hydroxy-5-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

IUPAC name

N-{7-hydroxy-5-methyl-2-propyl-[124]triazolo[15-a]pyrimidin-6-yl}-5678-tetrahydronaphthalene-2-sulfonamide

SMILES

CCCc(nc1nc2C)nn1c(O)c2NS(c1cc(CCCC2)c2cc1)(=O)=O

InChI

InChI=1S/C19H23N5O3S/c1-3-6-16-21-19-20-12(2)17(18(25)24(19)22-16)23-28(26,27)15-10-9-13-7-4-5-8-14(13)11-15/h9-11,23,25H,3-8H2,1-2H3

InChI Key

WGWQKRKUDWHANL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14743556

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.49

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

2.687

Distribution Coefficient, logD

0.852

Water Solubility, LogSw

-2.92

Polar Surface Area

86.973

Acid Dissociation Constant (pKa)

5.57

Base Dissociation Constant (pKb)

3.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

C301-4392 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

PI3K-Targeted Library (17255 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
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C301-4392 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-4392?
Check Price and Availability of C301-4392, 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 C301-4392 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-4392
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-4392
  • 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 C301-4392 available by request