C592-2833 Screening compound: N-(2,5-dimethoxyphenyl)-2-{[4-(2,3-dimethylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

C592-2833 Screening compound: N-(2,5-dimethoxyphenyl)-2-{[4-(2,3-dimethylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
C592-2833 Screening compound: N-(2,5-dimethoxyphenyl)-2-{[4-(2,3-dimethylphenyl)-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 C592-2833
N-(2,5-dimethoxyphenyl)-2-{[4-(2,3-dimethylphenyl)-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

C592-2833

Molecular Formula

C26H29N5O3S (C26 H29 N5 O3 S)

Compound Name

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

IUPAC name

N-(25-dimethoxyphenyl)-2-{[4-(23-dimethylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-124-triazol-3-yl]sulfanyl}acetamide

SMILES

Cc1cccc(-n2c(SCC(Nc(cc(cc3)OC)c3OC)=O)nnc2Cc2cccn2C)c1C

InChI

InChI=1S/C26H29N5O3S/c1-17-8-6-10-22(18(17)2)31-24(14-19-9-7-13-30(19)3)28-29-26(31)35-16-25(32)27-21-15-20(33-4)11-12-23(21)34-5/h6-13,15H,14,16H2,1-5H3,(H,27,32)

InChI Key

NQECZGIIONTBPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05903058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.61

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

4.388

Distribution Coefficient, logD

4.388

Water Solubility, LogSw

-4.42

Polar Surface Area

65.911

Acid Dissociation Constant (pKa)

10.47

Base Dissociation Constant (pKb)

5.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

C592-2833 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C592-2833 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C592-2833?
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What is the minimum amount of C592-2833 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-2833
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-2833
  • 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 C592-2833 available by request