C301-4654 Screening compound: 5-chloro-N~2~-(2-ethyl-7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-2-thiophenesulfonamide

C301-4654 Screening compound: 5-chloro-N~2~-(2-ethyl-7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-2-thiophenesulfonamide
C301-4654 Screening compound: 5-chloro-N~2~-(2-ethyl-7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-2-thiophenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-4654
5-chloro-N~2~-(2-ethyl-7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-2-thiophenesulfonamide

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

C301-4654

Molecular Formula

C12H12ClN5O3S2 (C12 H12 ClN5 O3 S2)

Compound Name

5-chloro-N~2~-(2-ethyl-7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-2-thiophenesulfonamide

IUPAC name

n/a

SMILES

CCc(nc1nc2C)nn1c(O)c2NS(c(s1)ccc1Cl)(=O)=O

InChI

InChI=1S/C12H12ClN5O3S2/c1-3-8-15-12-14-6(2)10(11(19)18(12)16-8)17-23(20,21)9-5-4-7(13)22-9/h4-5,17,19H,3H2,1-2H3

InChI Key

UNGBQTDOEVBTDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14743664

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.84

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

1.433

Distribution Coefficient, logD

-0.249

Water Solubility, LogSw

-2.54

Polar Surface Area

88.071

Acid Dissociation Constant (pKa)

5.73

Base Dissociation Constant (pKb)

3.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C301-4654 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

PI3K-Targeted Library (17255 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C301-4654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-4654?
Check Price and Availability of C301-4654, 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 C301-4654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-4654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-4654
  • 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 C301-4654 available by request