8016-6838 Screening compound: 2-[(4-allyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N~1~-(2,5-dichlorophenyl)acetamide

8016-6838 Screening compound: 2-[(4-allyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N~1~-(2,5-dichlorophenyl)acetamide
8016-6838 Screening compound: 2-[(4-allyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N~1~-(2,5-dichlorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-6838
2-[(4-allyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N~1~-(2,5-dichlorophenyl)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

8016-6838

Molecular Formula

C13H12Cl2N4OS (C13 H12 Cl2 N4 OS)

Compound Name

2-[(4-allyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N~1~-(2,5-dichlorophenyl)acetamide

IUPAC name

N-(25-dichlorophenyl)-2-{[4-(prop-2-en-1-yl)-4H-124-triazol-3-yl]sulfanyl}acetamide

SMILES

C=CCn1c(SCC(Nc(cc(cc2)Cl)c2Cl)=O)nnc1

InChI

InChI=1S/C13H12Cl2N4OS/c1-2-5-19-8-16-18-13(19)21-7-12(20)17-11-6-9(14)3-4-10(11)15/h2-4,6,8H,1,5,7H2,(H,17,20)

InChI Key

NDOFODPNTLKTAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05858320

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.24

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.585

Distribution Coefficient, logD

2.575

Water Solubility, LogSw

-3.33

Polar Surface Area

47.606

Acid Dissociation Constant (pKa)

9.03

Base Dissociation Constant (pKb)

0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.38

References: we are preparing a list of scientific research reports with 8016-6838 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-6838?
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What is the minimum amount of 8016-6838 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-6838
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-6838
  • 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 8016-6838 available by request