K232-1887 Screening compound: N-[4-(8-ethoxy-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-N'-[2-(4-methylphenyl)ethyl]butanediamide

K232-1887 Screening compound: N-[4-(8-ethoxy-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-N'-[2-(4-methylphenyl)ethyl]butanediamide
K232-1887 Screening compound: N-[4-(8-ethoxy-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-N'-[2-(4-methylphenyl)ethyl]butanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K232-1887
N-[4-(8-ethoxy-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-N'-[2-(4-methylphenyl)ethyl]butanediamide

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

K232-1887

Molecular Formula

C27H27N3O5S (C27 H27 N3 O5 S)

Compound Name

N-[4-(8-ethoxy-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-N'-[2-(4-methylphenyl)ethyl]butanediamide

IUPAC name

N-[4-(8-ethoxy-2-oxo-2H-chromen-3-yl)-13-thiazol-2-yl]-N'-[2-(4-methylphenyl)ethyl]butanediamide

SMILES

CCOc1cccc(C=C2c3csc(NC(CCC(NCCc4ccc(C)cc4)=O)=O)n3)c1OC2=O

InChI

InChI=1S/C27H27N3O5S/c1-3-34-22-6-4-5-19-15-20(26(33)35-25(19)22)21-16-36-27(29-21)30-24(32)12-11-23(31)28-14-13-18-9-7-17(2)8-10-18/h4-10,15-16H,3,11-14H2,1-2H3,(H,28,31)(H,29,30,32)

InChI Key

NXMVSQLZKFDGOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15083164

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.637

Distribution Coefficient, logD

3.626

Water Solubility, LogSw

-3.96

Polar Surface Area

85.020

Acid Dissociation Constant (pKa)

8.99

Base Dissociation Constant (pKb)

5.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

K232-1887 in Drug Discovery

Included in Screening Libraries

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

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 K232-1887 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K232-1887?
Check Price and Availability of K232-1887, 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 K232-1887 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K232-1887
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K232-1887
  • 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 K232-1887 available by request