C301-5009 Screening compound: 4-ETHYL-N-{7-HYDROXY-5-METHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-6-YL}BENZENE-1-SULFONAMIDE

C301-5009 Screening compound: 4-ETHYL-N-{7-HYDROXY-5-METHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-6-YL}BENZENE-1-SULFONAMIDE
C301-5009 Screening compound: 4-ETHYL-N-{7-HYDROXY-5-METHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-6-YL}BENZENE-1-SULFONAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-5009
4-ETHYL-N-{7-HYDROXY-5-METHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-6-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

C301-5009

Molecular Formula

C14H15N5O3S (C14 H15 N5 O3 S)

Compound Name

4-ETHYL-N-{7-HYDROXY-5-METHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-6-YL}BENZENE-1-SULFONAMIDE

IUPAC name

4-ethyl-N-{7-hydroxy-5-methyl-[124]triazolo[15-a]pyrimidin-6-yl}benzene-1-sulfonamide

SMILES

CCc(cc1)ccc1S(Nc(c(C)nc1ncnn11)c1O)(=O)=O

InChI

InChI=1S/C14H15N5O3S/c1-3-10-4-6-11(7-5-10)23(21,22)18-12-9(2)17-14-15-8-16-19(14)13(12)20/h4-8,18,20H,3H2,1-2H3

InChI Key

AYNAJKWJNSDNCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14743835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.063

Distribution Coefficient, logD

-1.461

Water Solubility, LogSw

-2.35

Polar Surface Area

87.003

Acid Dissociation Constant (pKa)

4.88

Base Dissociation Constant (pKb)

3.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

C301-5009 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with C301-5009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-5009?
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What is the minimum amount of C301-5009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-5009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-5009
  • 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 C301-5009 available by request