4839-0008 Screening compound: ethyl 2-[2-(2-{[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}acetamido)-1,3-thiazol-5-yl]acetate

4839-0008 Screening compound: ethyl 2-[2-(2-{[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}acetamido)-1,3-thiazol-5-yl]acetate
4839-0008 Screening compound: ethyl 2-[2-(2-{[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}acetamido)-1,3-thiazol-5-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4839-0008
ethyl 2-[2-(2-{[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}acetamido)-1,3-thiazol-5-yl]acetate

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

4839-0008

Molecular Formula

C26H25N5O5S2 (C26 H25 N5 O5 S2)

Compound Name

ethyl 2-[2-(2-{[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}acetamido)-1,3-thiazol-5-yl]acetate

IUPAC name

ethyl 2-[2-(2-{[56-bis(4-methoxyphenyl)-124-triazin-3-yl]sulfanyl}acetamido)-13-thiazol-5-yl]acetate

SMILES

CCOC(Cc1cnc(NC(CSc2nnc(-c(cc3)ccc3OC)c(-c(cc3)ccc3OC)n2)=O)s1)=O

InChI

InChI=1S/C26H25N5O5S2/c1-4-36-22(33)13-20-14-27-25(38-20)28-21(32)15-37-26-29-23(16-5-9-18(34-2)10-6-16)24(30-31-26)17-7-11-19(35-3)12-8-17/h5-12,14H,4,13,15H2,1-3H3,(H,27,28,32)

InChI Key

FSXWAIOIAFXHDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14710218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

551.65

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.464

Distribution Coefficient, logD

4.462

Water Solubility, LogSw

-4.12

Polar Surface Area

100.349

Acid Dissociation Constant (pKa)

9.76

Base Dissociation Constant (pKb)

0.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

4839-0008 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4839-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4839-0008?
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What is the minimum amount of 4839-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4839-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4839-0008
  • 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 4839-0008 available by request