L849-1444 Screening compound: 2-({4-methyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-phenylpropyl)acetamide

L849-1444 Screening compound: 2-({4-methyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-phenylpropyl)acetamide
L849-1444 Screening compound: 2-({4-methyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-phenylpropyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L849-1444
2-({4-methyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-phenylpropyl)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

L849-1444

Molecular Formula

C25H28N6OS (C25 H28 N6 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-c1nn(C)cc1-c(n1C)nnc1SCC(NCCCc1ccccc1)=O

InChI

InChI=1S/C25H28N6OS/c1-18-11-13-20(14-12-18)23-21(16-30(2)29-23)24-27-28-25(31(24)3)33-17-22(32)26-15-7-10-19-8-5-4-6-9-19/h4-6,8-9,11-14,16H,7,10,15,17H2,1-3H3,(H,26,32)

InChI Key

PIBWDLCKMLLBIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27479726

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.694

Distribution Coefficient, logD

3.694

Water Solubility, LogSw

-3.73

Polar Surface Area

64.448

Acid Dissociation Constant (pKa)

15.01

Base Dissociation Constant (pKb)

1.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

L849-1444 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with L849-1444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L849-1444?
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What is the minimum amount of L849-1444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L849-1444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L849-1444
  • 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 L849-1444 available by request