K403-0739 Screening compound: 2,4-diethyl 5-{2-[(5-{[(2-methoxyphenyl)formamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-3-methylthiophene-2,4-dicarboxylate

K403-0739 Screening compound: 2,4-diethyl 5-{2-[(5-{[(2-methoxyphenyl)formamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-3-methylthiophene-2,4-dicarboxylate
K403-0739 Screening compound: 2,4-diethyl 5-{2-[(5-{[(2-methoxyphenyl)formamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-3-methylthiophene-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K403-0739
2,4-diethyl 5-{2-[(5-{[(2-methoxyphenyl)formamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-3-methylthiophene-2,4-dicarboxylate

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

K403-0739

Molecular Formula

C25H29N5O7S2 (C25 H29 N5 O7 S2)

Compound Name

2,4-diethyl 5-{2-[(5-{[(2-methoxyphenyl)formamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-3-methylthiophene-2,4-dicarboxylate

IUPAC name

24-diethyl 5-{2-[(5-{[(2-methoxyphenyl)formamido]methyl}-4-methyl-4H-124-triazol-3-yl)sulfanyl]acetamido}-3-methylthiophene-24-dicarboxylate

SMILES

CCOC(c1c(NC(CSc2nnc(CNC(c(cccc3)c3OC)=O)n2C)=O)sc(C(OCC)=O)c1C)=O

InChI

InChI=1S/C25H29N5O7S2/c1-6-36-23(33)19-14(3)20(24(34)37-7-2)39-22(19)27-18(31)13-38-25-29-28-17(30(25)4)12-26-21(32)15-10-8-9-11-16(15)35-5/h8-11H,6-7,12-13H2,1-5H3,(H,26,32)(H,27,31)

InChI Key

NQIAAEFWWZXKBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04411126

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

575.67

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.704

Distribution Coefficient, logD

0.829

Water Solubility, LogSw

-3.33

Polar Surface Area

122.793

Acid Dissociation Constant (pKa)

5.53

Base Dissociation Constant (pKb)

2.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

K403-0739 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K403-0739 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K403-0739?
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What is the minimum amount of K403-0739 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K403-0739
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K403-0739
  • 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 K403-0739 available by request