C179-0745 Screening compound: 2-({6-[(2-chlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C179-0745 Screening compound: 2-({6-[(2-chlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
C179-0745 Screening compound: 2-({6-[(2-chlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C179-0745
2-({6-[(2-chlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)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

C179-0745

Molecular Formula

C26H26ClN5OS (C26 H26 ClN5 OS)

Compound Name

2-({6-[(2-chlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

IUPAC name

2-({6-[(2-chlorophenyl)methyl]-57-dimethyl-[124]triazolo[15-a]pyrimidin-2-yl}sulfanyl)-N-(1234-tetrahydronaphthalen-1-yl)acetamide

SMILES

Cc1c(Cc(cccc2)c2Cl)c(C)nc2nc(SCC(NC(CCC3)c4c3cccc4)=O)nn12

InChI

InChI=1S/C26H26ClN5OS/c1-16-21(14-19-9-4-6-12-22(19)27)17(2)32-25(28-16)30-26(31-32)34-15-24(33)29-23-13-7-10-18-8-3-5-11-20(18)23/h3-6,8-9,11-12,23H,7,10,13-15H2,1-2H3,(H,29,33)/t23-/m0/s1

InChI Key

DPIUYOGWNKOWAX-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14724102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.04

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.365

Distribution Coefficient, logD

5.365

Water Solubility, LogSw

-5.74

Polar Surface Area

53.870

Acid Dissociation Constant (pKa)

12.30

Base Dissociation Constant (pKb)

3.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

C179-0745 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C179-0745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C179-0745?
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What is the minimum amount of C179-0745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C179-0745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C179-0745
  • 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 C179-0745 available by request