L886-0005 Screening compound: 3-{3-[5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl}-N,N-dimethylaniline

L886-0005 Screening compound: 3-{3-[5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl}-N,N-dimethylaniline
L886-0005 Screening compound: 3-{3-[5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl}-N,N-dimethylaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound L886-0005
3-{3-[5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl}-N,N-dimethylaniline

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

L886-0005

Molecular Formula

C21H27N7OS (C21 H27 N7 OS)

Compound Name

3-{3-[5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl}-N,N-dimethylaniline

IUPAC name

3-{3-[5-(ethylsulfanyl)-4-methyl-4H-124-triazol-3-yl]-1-methyl-1H4H5H6H7H-pyrazolo[43-c]pyridine-5-carbonyl}-NN-dimethylaniline

SMILES

CCSc1nnc(-c2nn(C)c(CC3)c2CN3C(c2cc(N(C)C)ccc2)=O)n1C

InChI

InChI=1S/C21H27N7OS/c1-6-30-21-23-22-19(26(21)4)18-16-13-28(11-10-17(16)27(5)24-18)20(29)14-8-7-9-15(12-14)25(2)3/h7-9,12H,6,10-11,13H2,1-5H3

InChI Key

JVVGALNCFQSHBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28120191

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.760

Distribution Coefficient, logD

1.736

Water Solubility, LogSw

-2.50

Polar Surface Area

59.455

Acid Dissociation Constant (pKa)

21.25

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

L886-0005 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L886-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L886-0005?
Check Price and Availability of L886-0005, 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 L886-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L886-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L886-0005
  • 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 L886-0005 available by request