C592-3971 Screening compound: 2-{[4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide

C592-3971 Screening compound: 2-{[4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide
C592-3971 Screening compound: 2-{[4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C592-3971
2-{[4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methylphenyl)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

C592-3971

Molecular Formula

C20H25N5O2S (C20 H25 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(NC(CSc2nnc(Cc3cccn3C)n2CCOC)=O)c1

InChI

InChI=1S/C20H25N5O2S/c1-15-6-4-7-16(12-15)21-19(26)14-28-20-23-22-18(25(20)10-11-27-3)13-17-8-5-9-24(17)2/h4-9,12H,10-11,13-14H2,1-3H3,(H,21,26)

InChI Key

CHBHLHLTQILXIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04474271

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.811

Distribution Coefficient, logD

2.811

Water Solubility, LogSw

-3.14

Polar Surface Area

59.585

Acid Dissociation Constant (pKa)

12.98

Base Dissociation Constant (pKb)

3.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with C592-3971 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C592-3971?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-3971
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-3971
  • 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 C592-3971 available by request