C592-0695 Screening compound: N-{[5-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide

C592-0695 Screening compound: N-{[5-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide
C592-0695 Screening compound: N-{[5-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C592-0695
N-{[5-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide

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

C592-0695

Molecular Formula

C23H21N5O3S (C23 H21 N5 O3 S)

Compound Name

N-{[5-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide

IUPAC name

N-{[5-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-4-phenyl-4H-124-triazol-3-yl]methyl}furan-2-carboxamide

SMILES

Cc1cccc(NC(CSc2nnc(CNC(c3ccco3)=O)n2-c2ccccc2)=O)c1

InChI

InChI=1S/C23H21N5O3S/c1-16-7-5-8-17(13-16)25-21(29)15-32-23-27-26-20(28(23)18-9-3-2-4-10-18)14-24-22(30)19-11-6-12-31-19/h2-13H,14-15H2,1H3,(H,24,30)(H,25,29)

InChI Key

XRZNTLPNIYILFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04449086

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.989

Distribution Coefficient, logD

2.989

Water Solubility, LogSw

-3.35

Polar Surface Area

82.101

Acid Dissociation Constant (pKa)

12.38

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

C592-0695 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C592-0695 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C592-0695?
Check Price and Availability of C592-0695, 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 C592-0695 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-0695
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-0695
  • 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 C592-0695 available by request