C677-0211 Screening compound: N-[(furan-2-yl)methyl]-2-{[4-(4-methoxyphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

C677-0211 Screening compound: N-[(furan-2-yl)methyl]-2-{[4-(4-methoxyphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
C677-0211 Screening compound: N-[(furan-2-yl)methyl]-2-{[4-(4-methoxyphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C677-0211
N-[(furan-2-yl)methyl]-2-{[4-(4-methoxyphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

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

C677-0211

Molecular Formula

C22H23N5O3S (C22 H23 N5 O3 S)

Compound Name

N-[(furan-2-yl)methyl]-2-{[4-(4-methoxyphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

IUPAC name

N-[(furan-2-yl)methyl]-2-{[4-(4-methoxyphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-124-triazol-3-yl]sulfanyl}acetamide

SMILES

Cn1c(Cc(n2-c(cc3)ccc3OC)nnc2SCC(NCc2ccco2)=O)ccc1

InChI

InChI=1S/C22H23N5O3S/c1-26-11-3-5-17(26)13-20-24-25-22(27(20)16-7-9-18(29-2)10-8-16)31-15-21(28)23-14-19-6-4-12-30-19/h3-12H,13-15H2,1-2H3,(H,23,28)

InChI Key

SEFPQTPIKCDNJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04471612

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.250

Distribution Coefficient, logD

3.250

Water Solubility, LogSw

-3.51

Polar Surface Area

68.350

Acid Dissociation Constant (pKa)

13.20

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

C677-0211 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C677-0211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C677-0211?
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What is the minimum amount of C677-0211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C677-0211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C677-0211
  • 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 C677-0211 available by request