L849-0545 Screening compound: 2-({4-ethyl-5-[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-ethylphenyl)acetamide

L849-0545 Screening compound: 2-({4-ethyl-5-[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-ethylphenyl)acetamide
L849-0545 Screening compound: 2-({4-ethyl-5-[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-ethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L849-0545
2-({4-ethyl-5-[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-ethylphenyl)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

L849-0545

Molecular Formula

C25H28N6O2S (C25 H28 N6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1NC(CSc1nnc(-c2cn(C)nc2-c2cc(OC)ccc2)n1CC)=O

InChI

InChI=1S/C25H28N6O2S/c1-5-17-10-12-19(13-11-17)26-22(32)16-34-25-28-27-24(31(25)6-2)21-15-30(3)29-23(21)18-8-7-9-20(14-18)33-4/h7-15H,5-6,16H2,1-4H3,(H,26,32)

InChI Key

HHMYCIXZIYUQPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27479496

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.531

Distribution Coefficient, logD

4.531

Water Solubility, LogSw

-4.21

Polar Surface Area

69.743

Acid Dissociation Constant (pKa)

12.68

Base Dissociation Constant (pKb)

2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

L849-0545 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with L849-0545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L849-0545?
Check Price and Availability of L849-0545, 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 L849-0545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L849-0545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L849-0545
  • 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 L849-0545 available by request