K403-0855 Screening compound: ethyl 2-{2-[(5-{[(4-methoxyphenyl)formamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

K403-0855 Screening compound: ethyl 2-{2-[(5-{[(4-methoxyphenyl)formamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
K403-0855 Screening compound: ethyl 2-{2-[(5-{[(4-methoxyphenyl)formamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K403-0855
ethyl 2-{2-[(5-{[(4-methoxyphenyl)formamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-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

K403-0855

Molecular Formula

C25H29N5O5S2 (C25 H29 N5 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(NC(C(C)Sc2nnc(CNC(c(cc3)ccc3OC)=O)n2C)=O)sc2c1CCC2)=O

InChI

InChI=1S/C25H29N5O5S2/c1-5-35-24(33)20-17-7-6-8-18(17)37-23(20)27-21(31)14(2)36-25-29-28-19(30(25)3)13-26-22(32)15-9-11-16(34-4)12-10-15/h9-12,14H,5-8,13H2,1-4H3,(H,26,32)(H,27,31)/t14-/m0/s1

InChI Key

AIJAGIOKBXYITF-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD04411234

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

543.67

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.251

Distribution Coefficient, logD

0.929

Water Solubility, LogSw

-3.74

Polar Surface Area

102.453

Acid Dissociation Constant (pKa)

5.08

Base Dissociation Constant (pKb)

2.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

K403-0855 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K403-0855 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K403-0855?
Check Price and Availability of K403-0855, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K403-0855 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K403-0855
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K403-0855
  • 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 K403-0855 available by request