C592-3849F Screening compound: 2-{[4-(2,3-dimethylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

C592-3849F Screening compound: 2-{[4-(2,3-dimethylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
C592-3849F Screening compound: 2-{[4-(2,3-dimethylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C592-3849F
2-{[4-(2,3-dimethylphenyl)-5-(thiophen-2-yl)-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

C592-3849F

Molecular Formula

C16H16N4OS2 (C16 H16 N4 OS2)

Compound Name

2-{[4-(2,3-dimethylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

IUPAC name

2-{[4-(23-dimethylphenyl)-5-(thiophen-2-yl)-4H-124-triazol-3-yl]sulfanyl}acetamide

SMILES

Cc1cccc(-n2c(SCC(N)=O)nnc2-c2cccs2)c1C

InChI

InChI=1S/C16H16N4OS2/c1-10-5-3-6-12(11(10)2)20-15(13-7-4-8-22-13)18-19-16(20)23-9-14(17)21/h3-8H,9H2,1-2H3,(H2,17,21)

InChI Key

RXNXAWYHVVOQHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04199466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.216

Distribution Coefficient, logD

3.216

Water Solubility, LogSw

-3.35

Polar Surface Area

59.089

Acid Dissociation Constant (pKa)

15.73

Base Dissociation Constant (pKb)

4.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

C592-3849F in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C592-3849F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C592-3849F?
Check Price and Availability of C592-3849F, 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 C592-3849F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-3849F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-3849F
  • 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 C592-3849F available by request