8016-6227 Screening compound: N~1~-(4-acetylphenyl)-2-{[5-(4-pyridyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

8016-6227 Screening compound: N~1~-(4-acetylphenyl)-2-{[5-(4-pyridyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
8016-6227 Screening compound: N~1~-(4-acetylphenyl)-2-{[5-(4-pyridyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-6227
N~1~-(4-acetylphenyl)-2-{[5-(4-pyridyl)-4H-1,2,4-triazol-3-yl]sulfanyl}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

8016-6227

Molecular Formula

C17H15N5O2S (C17 H15 N5 O2 S)

Compound Name

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

IUPAC name

N-(4-acetylphenyl)-2-{[5-(pyridin-4-yl)-4H-124-triazol-3-yl]sulfanyl}acetamide

SMILES

CC(c(cc1)ccc1NC(CSc1nnc(-c2ccncc2)[nH]1)=O)=O

InChI

InChI=1S/C17H15N5O2S/c1-11(23)12-2-4-14(5-3-12)19-15(24)10-25-17-20-16(21-22-17)13-6-8-18-9-7-13/h2-9H,10H2,1H3,(H,19,24)(H,20,21,22)

InChI Key

ADPYSONKPUYLLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05857868

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.154

Distribution Coefficient, logD

0.142

Water Solubility, LogSw

-1.82

Polar Surface Area

78.878

Acid Dissociation Constant (pKa)

4.79

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.76

References: we are preparing a list of scientific research reports with 8016-6227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-6227?
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What is the minimum amount of 8016-6227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-6227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-6227
  • 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 8016-6227 available by request