L849-0377 Screening compound: 2-({5-[3-(4-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-cyanophenyl)acetamide

L849-0377 Screening compound: 2-({5-[3-(4-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-cyanophenyl)acetamide
L849-0377 Screening compound: 2-({5-[3-(4-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-cyanophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L849-0377
2-({5-[3-(4-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-cyanophenyl)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

L849-0377

Molecular Formula

C23H20ClN7OS (C23 H20 ClN7 OS)

Compound Name

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

IUPAC name

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

SMILES

CCn1c(SCC(Nc2cc(C#N)ccc2)=O)nnc1-c1cn(C)nc1-c(cc1)ccc1Cl

InChI

InChI=1S/C23H20ClN7OS/c1-3-31-22(19-13-30(2)29-21(19)16-7-9-17(24)10-8-16)27-28-23(31)33-14-20(32)26-18-6-4-5-15(11-18)12-25/h4-11,13H,3,14H2,1-2H3,(H,26,32)

InChI Key

UPOALNTYSZXMNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27479490

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.98

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.908

Distribution Coefficient, logD

3.908

Water Solubility, LogSw

-4.36

Polar Surface Area

79.255

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

3.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

L849-0377 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L849-0377 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L849-0377?
Check Price and Availability of L849-0377, 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 L849-0377 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L849-0377
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L849-0377
  • 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 L849-0377 available by request