C592-2857 Screening compound: 1-(2,3-dihydro-1H-indol-1-yl)-2-{[4-(4-methoxyphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one

C592-2857 Screening compound: 1-(2,3-dihydro-1H-indol-1-yl)-2-{[4-(4-methoxyphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
C592-2857 Screening compound: 1-(2,3-dihydro-1H-indol-1-yl)-2-{[4-(4-methoxyphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C592-2857
1-(2,3-dihydro-1H-indol-1-yl)-2-{[4-(4-methoxyphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one

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

C592-2857

Molecular Formula

C25H25N5O2S (C25 H25 N5 O2 S)

Compound Name

1-(2,3-dihydro-1H-indol-1-yl)-2-{[4-(4-methoxyphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one

IUPAC name

1-(23-dihydro-1H-indol-1-yl)-2-{[4-(4-methoxyphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-124-triazol-3-yl]sulfanyl}ethan-1-one

SMILES

Cn1c(Cc(n2-c(cc3)ccc3OC)nnc2SCC(N(CC2)c3c2cccc3)=O)ccc1

InChI

InChI=1S/C25H25N5O2S/c1-28-14-5-7-20(28)16-23-26-27-25(30(23)19-9-11-21(32-2)12-10-19)33-17-24(31)29-15-13-18-6-3-4-8-22(18)29/h3-12,14H,13,15-17H2,1-2H3

InChI Key

LQMDBKQJOLVEIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04471558

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.917

Distribution Coefficient, logD

3.917

Water Solubility, LogSw

-4.04

Polar Surface Area

51.553

Acid Dissociation Constant (pKa)

18.51

Base Dissociation Constant (pKb)

4.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

C592-2857 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C592-2857 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C592-2857?
Check Price and Availability of C592-2857, 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 C592-2857 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-2857
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-2857
  • 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 C592-2857 available by request