K232-1886 Screening compound: N-[4-(8-ethoxy-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-N'-[3-(4-methylpiperidin-1-yl)propyl]butanediamide

Chemical Structure Depiction of ChemDiv screening compound K232-1886
N-[4-(8-ethoxy-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-N'-[3-(4-methylpiperidin-1-yl)propyl]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)

Check Price and Availability

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K232-1886

Molecular Formula

C₂₇H₃₄N₄O₅S (C27 H34 N4 O5 S)

Compound Name

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

IUPAC name

N-[4-(8-ethoxy-2-oxo-2H-chromen-3-yl)-13-thiazol-2-yl]-N'-[3-(4-methylpiperidin-1-yl)propyl]butanediamide

SMILES

CCOc1cccc(C=C2c3csc(NC(CCC(NCCCN4CCC(C)CC4)=O)=O)n3)c1OC2=O

InChI

InChI=1S/C27H34N4O5S/c1-3-35-22-7-4-6-19-16-20(26(34)36-25(19)22)21-17-37-27(29-21)30-24(33)9-8-23(32)28-12-5-13-31-14-10-18(2)11-15-31/h4,6-7,16-18H,3,5,8-15H2,1-2H3,(H,28,32)(H,29,30,33)

InChI Key

XTOPLOHUJLXIMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15083163

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.66

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

2.973

Distribution Coefficient, logD

0.455

Water Solubility, LogSw

-3.52

Polar Surface Area

89.003

Acid Dissociation Constant (pK_a)

8.99

Base Dissociation Constant (pK_b)

9.92

Number of Chiral Centers

0.00

Percent sp³ carbon bonding

48.10

K232-1886 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Eccentric PPI Library (11937 compounds)

Lipid Metabolism Library (9174 compounds)

PLpro Library (6343 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

Antiviral
Infections
Immune system
Antiviral
Infections
Immune system
Cardiovascular
Metabolic
Antiviral
Infections
Immune system
Musculoskeletal
Digestive system
Hemic and lymphatic
Cardiovascular
Skin
wounds
Cancer
Nervous system
Male
Female
Hemic and lymphatic
Skin
Endocrine

Mechanism of action:

PPI modulators
PPI modulators

Structure:

Cyclic compounds

Targets:

Phosphatases

References: we are preparing a list of scientific research reports with K232-1886 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K232-1886?
Check Price and Availability of K232-1886, 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 K232-1886 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for K232-1886
ChemDiv sends parcels with Express services (UPS, WC).

1–2 days for small orders
2–4 weeks for large selections

Delivery formats for K232-1886

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 K232-1886 available by request