K403-0228 Screening compound: ethyl 2-(2-{[4-(2-methoxyphenyl)-5-{[2-(4-methoxyphenyl)acetamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

K403-0228 Screening compound: ethyl 2-(2-{[4-(2-methoxyphenyl)-5-{[2-(4-methoxyphenyl)acetamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
K403-0228 Screening compound: ethyl 2-(2-{[4-(2-methoxyphenyl)-5-{[2-(4-methoxyphenyl)acetamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K403-0228
ethyl 2-(2-{[4-(2-methoxyphenyl)-5-{[2-(4-methoxyphenyl)acetamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

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

K403-0228

Molecular Formula

C31H33N5O6S2 (C31 H33 N5 O6 S2)

Compound Name

ethyl 2-(2-{[4-(2-methoxyphenyl)-5-{[2-(4-methoxyphenyl)acetamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

IUPAC name

ethyl 2-(2-{[4-(2-methoxyphenyl)-5-{[2-(4-methoxyphenyl)acetamido]methyl}-4H-124-triazol-3-yl]sulfanyl}acetamido)-4H5H6H-cyclopenta[b]thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(CSc2nnc(CNC(Cc(cc3)ccc3OC)=O)n2-c(cccc2)c2OC)=O)sc2c1CCC2)=O

InChI

InChI=1S/C31H33N5O6S2/c1-4-42-30(39)28-21-8-7-11-24(21)44-29(28)33-27(38)18-43-31-35-34-25(36(31)22-9-5-6-10-23(22)41-3)17-32-26(37)16-19-12-14-20(40-2)15-13-19/h5-6,9-10,12-15H,4,7-8,11,16-18H2,1-3H3,(H,32,37)(H,33,38)

InChI Key

XHABCKUGRUNASB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04410687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

635.77

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.920

Distribution Coefficient, logD

1.939

Water Solubility, LogSw

-4.31

Polar Surface Area

109.017

Acid Dissociation Constant (pKa)

5.42

Base Dissociation Constant (pKb)

4.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.30

References: we are preparing a list of scientific research reports with K403-0228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K403-0228?
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What is the minimum amount of K403-0228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K403-0228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K403-0228
  • 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 K403-0228 available by request