L849-1618 Screening compound: N-cyclohexyl-2-{[4-ethyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

L849-1618 Screening compound: N-cyclohexyl-2-{[4-ethyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
L849-1618 Screening compound: N-cyclohexyl-2-{[4-ethyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L849-1618
N-cyclohexyl-2-{[4-ethyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}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

L849-1618

Molecular Formula

C22H28N6OS (C22 H28 N6 OS)

Compound Name

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

IUPAC name

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

SMILES

CCn1c(SCC(NC2CCCCC2)=O)nnc1-c1cn(C)nc1-c1ccccc1

InChI

InChI=1S/C22H28N6OS/c1-3-28-21(18-14-27(2)26-20(18)16-10-6-4-7-11-16)24-25-22(28)30-15-19(29)23-17-12-8-5-9-13-17/h4,6-7,10-11,14,17H,3,5,8-9,12-13,15H2,1-2H3,(H,23,29)

InChI Key

CJXKLYJHEKEKHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27479783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.243

Distribution Coefficient, logD

3.243

Water Solubility, LogSw

-3.48

Polar Surface Area

63.246

Acid Dissociation Constant (pKa)

15.76

Base Dissociation Constant (pKb)

1.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

References: we are preparing a list of scientific research reports with L849-1618 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L849-1618?
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What is the minimum amount of L849-1618 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L849-1618
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L849-1618
  • 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 L849-1618 available by request