L849-1563 Screening compound: ethyl 4-(2-{[4-ethyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate

L849-1563 Screening compound: ethyl 4-(2-{[4-ethyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
L849-1563 Screening compound: ethyl 4-(2-{[4-ethyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L849-1563
ethyl 4-(2-{[4-ethyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate

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

L849-1563

Molecular Formula

C25H26N6O3S (C25 H26 N6 O3 S)

Compound Name

ethyl 4-(2-{[4-ethyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate

IUPAC name

ethyl 4-(2-{[4-ethyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-124-triazol-3-yl]sulfanyl}acetamido)benzoate

SMILES

CCn1c(SCC(Nc(cc2)ccc2C(OCC)=O)=O)nnc1-c1cn(C)nc1-c1ccccc1

InChI

InChI=1S/C25H26N6O3S/c1-4-31-23(20-15-30(3)29-22(20)17-9-7-6-8-10-17)27-28-25(31)35-16-21(32)26-19-13-11-18(12-14-19)24(33)34-5-2/h6-15H,4-5,16H2,1-3H3,(H,26,32)

InChI Key

IIGWUSGOFZLGSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27479771

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.948

Distribution Coefficient, logD

3.948

Water Solubility, LogSw

-3.81

Polar Surface Area

82.953

Acid Dissociation Constant (pKa)

11.11

Base Dissociation Constant (pKb)

3.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

L849-1563 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Immunological Library (6760 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L849-1563 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L849-1563?
Check Price and Availability of L849-1563, 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 L849-1563 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L849-1563
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L849-1563
  • 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 L849-1563 available by request