L849-1490 Screening compound: 2-{[4-ethyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide

L849-1490 Screening compound: 2-{[4-ethyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
L849-1490 Screening compound: 2-{[4-ethyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L849-1490
2-{[4-ethyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide

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

L849-1490

Molecular Formula

C23H21F3N6OS (C23 H21 F3 N6 OS)

Compound Name

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

IUPAC name

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

SMILES

CCn1c(SCC(Nc2c(C(F)(F)F)cccc2)=O)nnc1-c1cn(C)nc1-c1ccccc1

InChI

InChI=1S/C23H21F3N6OS/c1-3-32-21(16-13-31(2)30-20(16)15-9-5-4-6-10-15)28-29-22(32)34-14-19(33)27-18-12-8-7-11-17(18)23(24,25)26/h4-13H,3,14H2,1-2H3,(H,27,33)

InChI Key

VHYPVSAWYOOOLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27479745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.863

Distribution Coefficient, logD

3.863

Water Solubility, LogSw

-3.83

Polar Surface Area

61.501

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

3.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

L849-1490 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Immune system

References: we are preparing a list of scientific research reports with L849-1490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L849-1490?
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What is the minimum amount of L849-1490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L849-1490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L849-1490
  • 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 L849-1490 available by request