C592-4030 Screening compound: 2-{[5-(4-aminophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-sulfamoylphenyl)acetamide

C592-4030 Screening compound: 2-{[5-(4-aminophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-sulfamoylphenyl)acetamide
C592-4030 Screening compound: 2-{[5-(4-aminophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-sulfamoylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C592-4030
2-{[5-(4-aminophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-sulfamoylphenyl)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

C592-4030

Molecular Formula

C19H20N6O3S2 (C19 H20 N6 O3 S2)

Compound Name

2-{[5-(4-aminophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-sulfamoylphenyl)acetamide

IUPAC name

2-{[5-(4-aminophenyl)-4-(prop-2-en-1-yl)-4H-124-triazol-3-yl]sulfanyl}-N-(4-sulfamoylphenyl)acetamide

SMILES

C=CCn1c(SCC(Nc(cc2)ccc2S(N)(=O)=O)=O)nnc1-c(cc1)ccc1N

InChI

InChI=1S/C19H20N6O3S2/c1-2-11-25-18(13-3-5-14(20)6-4-13)23-24-19(25)29-12-17(26)22-15-7-9-16(10-8-15)30(21,27)28/h2-10H,1,11-12,20H2,(H,22,26)(H2,21,27,28)

InChI Key

JEEVRNDBNBWZDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06737198

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.309

Distribution Coefficient, logD

1.308

Water Solubility, LogSw

-2.20

Polar Surface Area

118.778

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

C592-4030 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C592-4030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C592-4030?
Check Price and Availability of C592-4030, 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 C592-4030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-4030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-4030
  • 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 C592-4030 available by request