8019-4049 Screening compound: 2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyridin-2-yl)ethan-1-one

8019-4049 Screening compound: 2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyridin-2-yl)ethan-1-one
8019-4049 Screening compound: 2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyridin-2-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-4049
2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyridin-2-yl)ethan-1-one

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

8019-4049

Molecular Formula

C18H18N4O2S (C18 H18 N4 O2 S)

Compound Name

2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyridin-2-yl)ethan-1-one

IUPAC name

2-{[4-ethyl-5-(4-methoxyphenyl)-4H-124-triazol-3-yl]sulfanyl}-1-(pyridin-2-yl)ethan-1-one

SMILES

CCn1c(SCC(c2ncccc2)=O)nnc1-c(cc1)ccc1OC

InChI

InChI=1S/C18H18N4O2S/c1-3-22-17(13-7-9-14(24-2)10-8-13)20-21-18(22)25-12-16(23)15-6-4-5-11-19-15/h4-11H,3,12H2,1-2H3

InChI Key

DNGKJFNBKPBGTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09064835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.100

Distribution Coefficient, logD

3.100

Water Solubility, LogSw

-3.26

Polar Surface Area

53.804

Acid Dissociation Constant (pKa)

13.59

Base Dissociation Constant (pKb)

3.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

8019-4049 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8019-4049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-4049?
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What is the minimum amount of 8019-4049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-4049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-4049
  • 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 8019-4049 available by request