C592-4009 Screening compound: N-(3-acetamidophenyl)-2-{[4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

C592-4009 Screening compound: N-(3-acetamidophenyl)-2-{[4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
C592-4009 Screening compound: N-(3-acetamidophenyl)-2-{[4-(2-methoxyethyl)-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 C592-4009
N-(3-acetamidophenyl)-2-{[4-(2-methoxyethyl)-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

C592-4009

Molecular Formula

C21H26N6O3S (C21 H26 N6 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(Nc1cccc(NC(CSc2nnc(Cc3cccn3C)n2CCOC)=O)c1)=O

InChI

InChI=1S/C21H26N6O3S/c1-15(28)22-16-6-4-7-17(12-16)23-20(29)14-31-21-25-24-19(27(21)10-11-30-3)13-18-8-5-9-26(18)2/h4-9,12H,10-11,13-14H2,1-3H3,(H,22,28)(H,23,29)

InChI Key

YDAXQDSULIHOOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05719142

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.655

Distribution Coefficient, logD

1.655

Water Solubility, LogSw

-2.35

Polar Surface Area

82.847

Acid Dissociation Constant (pKa)

12.96

Base Dissociation Constant (pKb)

3.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with C592-4009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C592-4009?
Check Price and Availability of C592-4009, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C592-4009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-4009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-4009
  • 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 C592-4009 available by request