C179-0023 Screening compound: 2-({5,7-dimethyl-6-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C179-0023 Screening compound: 2-({5,7-dimethyl-6-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
C179-0023 Screening compound: 2-({5,7-dimethyl-6-[(2-methylphenyl)methyl]-[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 C179-0023
2-({5,7-dimethyl-6-[(2-methylphenyl)methyl]-[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

C179-0023

Molecular Formula

C27H29N5OS (C27 H29 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(Cc(c(C)nc2n3)c(C)n2nc3SCC(NC(CCC2)c3c2cccc3)=O)cccc1

InChI

InChI=1S/C27H29N5OS/c1-17-9-4-5-11-21(17)15-23-18(2)28-26-30-27(31-32(26)19(23)3)34-16-25(33)29-24-14-8-12-20-10-6-7-13-22(20)24/h4-7,9-11,13,24H,8,12,14-16H2,1-3H3,(H,29,33)/t24-/m0/s1

InChI Key

XWHVSPPNFCQGEG-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD14724039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.63

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

5.408

Distribution Coefficient, logD

5.408

Water Solubility, LogSw

-5.31

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

33.30

C179-0023 in Drug Discovery

Included in Screening Libraries

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 C179-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C179-0023?
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What is the minimum amount of C179-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C179-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C179-0023
  • 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 C179-0023 available by request