8014-0380 Screening compound: 2-{[5-(2,4-dichlorophenyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N~1~-(1-naphthyl)acetamide

8014-0380 Screening compound: 2-{[5-(2,4-dichlorophenyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N~1~-(1-naphthyl)acetamide
8014-0380 Screening compound: 2-{[5-(2,4-dichlorophenyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N~1~-(1-naphthyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-0380
2-{[5-(2,4-dichlorophenyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N~1~-(1-naphthyl)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

8014-0380

Molecular Formula

C27H20Cl2N4O2S (C27 H20 Cl2 N4 O2 S)

Compound Name

2-{[5-(2,4-dichlorophenyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N~1~-(1-naphthyl)acetamide

IUPAC name

2-{[5-(24-dichlorophenyl)-4-(2-methoxyphenyl)-4H-124-triazol-3-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide

SMILES

COc(cccc1)c1-n1c(SCC(Nc2cccc3ccccc23)=O)nnc1-c(ccc(Cl)c1)c1Cl

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.085

Distribution Coefficient, logD

6.085

Water Solubility, LogSw

-6.29

Polar Surface Area

54.222

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

3.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.41

8014-0380 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 8014-0380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-0380?
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What is the minimum amount of 8014-0380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-0380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-0380
  • 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 8014-0380 available by request