L886-0061 Screening compound: 3-[5-(2-ETHOXYBENZOYL)-1-METHYL-1H,4H,5H,6H,7H-PYRAZOLO[4,3-C]PYRIDIN-3-YL]-5-(ETHYLSULFANYL)-4-METHYL-4H-1,2,4-TRIAZOLE

L886-0061 Screening compound: 3-[5-(2-ETHOXYBENZOYL)-1-METHYL-1H,4H,5H,6H,7H-PYRAZOLO[4,3-C]PYRIDIN-3-YL]-5-(ETHYLSULFANYL)-4-METHYL-4H-1,2,4-TRIAZOLE
L886-0061 Screening compound: 3-[5-(2-ETHOXYBENZOYL)-1-METHYL-1H,4H,5H,6H,7H-PYRAZOLO[4,3-C]PYRIDIN-3-YL]-5-(ETHYLSULFANYL)-4-METHYL-4H-1,2,4-TRIAZOLE alternative view

Chemical Structure Depiction of ChemDiv screening compound L886-0061
3-[5-(2-ETHOXYBENZOYL)-1-METHYL-1H,4H,5H,6H,7H-PYRAZOLO[4,3-C]PYRIDIN-3-YL]-5-(ETHYLSULFANYL)-4-METHYL-4H-1,2,4-TRIAZOLE

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

L886-0061

Molecular Formula

C21H26N6O2S (C21 H26 N6 O2 S)

Compound Name

3-[5-(2-ETHOXYBENZOYL)-1-METHYL-1H,4H,5H,6H,7H-PYRAZOLO[4,3-C]PYRIDIN-3-YL]-5-(ETHYLSULFANYL)-4-METHYL-4H-1,2,4-TRIAZOLE

IUPAC name

n/a

SMILES

CCOc(cccc1)c1C(N(CC1)Cc2c1n(C)nc2-c(n1C)nnc1SCC)=O

InChI

InChI=1S/C21H26N6O2S/c1-5-29-17-10-8-7-9-14(17)20(28)27-12-11-16-15(13-27)18(24-26(16)4)19-22-23-21(25(19)3)30-6-2/h7-10H,5-6,11-13H2,1-4H3

InChI Key

AAAMLKKSDDSZJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28120205

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.863

Distribution Coefficient, logD

1.839

Water Solubility, LogSw

-2.67

Polar Surface Area

63.860

Acid Dissociation Constant (pKa)

21.25

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

L886-0061 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L886-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L886-0061?
Check Price and Availability of L886-0061, 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 L886-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L886-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L886-0061
  • 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 L886-0061 available by request