C301-4644 Screening compound: ethyl 6-({2-ethyl-7-hydroxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}sulfamoyl)-3-methyl-1-benzofuran-2-carboxylate

C301-4644 Screening compound: ethyl 6-({2-ethyl-7-hydroxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}sulfamoyl)-3-methyl-1-benzofuran-2-carboxylate
C301-4644 Screening compound: ethyl 6-({2-ethyl-7-hydroxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}sulfamoyl)-3-methyl-1-benzofuran-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-4644
ethyl 6-({2-ethyl-7-hydroxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}sulfamoyl)-3-methyl-1-benzofuran-2-carboxylate

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

C301-4644

Molecular Formula

C20H21N5O6S (C20 H21 N5 O6 S)

Compound Name

ethyl 6-({2-ethyl-7-hydroxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}sulfamoyl)-3-methyl-1-benzofuran-2-carboxylate

IUPAC name

ethyl 6-({2-ethyl-7-hydroxy-5-methyl-[124]triazolo[15-a]pyrimidin-6-yl}sulfamoyl)-3-methyl-1-benzofuran-2-carboxylate

SMILES

CCc(nc1nc2C)nn1c(O)c2NS(c(cc1)cc2c1c(C)c(C(OCC)=O)o2)(=O)=O

InChI

InChI=1S/C20H21N5O6S/c1-5-15-22-20-21-11(4)16(18(26)25(20)23-15)24-32(28,29)12-7-8-13-10(3)17(19(27)30-6-2)31-14(13)9-12/h7-9,24,26H,5-6H2,1-4H3

InChI Key

GBTNHILHRHLGTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14743655

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.48

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.200

Distribution Coefficient, logD

0.365

Water Solubility, LogSw

-2.71

Polar Surface Area

116.332

Acid Dissociation Constant (pKa)

5.57

Base Dissociation Constant (pKb)

3.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

C301-4644 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

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 C301-4644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-4644?
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What is the minimum amount of C301-4644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-4644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-4644
  • 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 C301-4644 available by request