C592-3955 Screening compound: 2-({4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-phenylethyl)acetamide

C592-3955 Screening compound: 2-({4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-phenylethyl)acetamide
C592-3955 Screening compound: 2-({4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-phenylethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C592-3955
2-({4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-phenylethyl)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

C592-3955

Molecular Formula

C19H23N5OS (C19 H23 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(Cc(n2C)nnc2SCC(NCCc2ccccc2)=O)ccc1

InChI

InChI=1S/C19H23N5OS/c1-23-12-6-9-16(23)13-17-21-22-19(24(17)2)26-14-18(25)20-11-10-15-7-4-3-5-8-15/h3-9,12H,10-11,13-14H2,1-2H3,(H,20,25)

InChI Key

YGFDVOYBQBIQCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05895371

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.719

Distribution Coefficient, logD

1.719

Water Solubility, LogSw

-2.19

Polar Surface Area

53.238

Acid Dissociation Constant (pKa)

14.66

Base Dissociation Constant (pKb)

3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

C592-3955 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C592-3955 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C592-3955?
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What is the minimum amount of C592-3955 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-3955
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-3955
  • 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 C592-3955 available by request