K611-0069 Screening compound: 4-amino-2-{[(diethylcarbamoyl)methyl]sulfanyl}-N-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide

K611-0069 Screening compound: 4-amino-2-{[(diethylcarbamoyl)methyl]sulfanyl}-N-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
K611-0069 Screening compound: 4-amino-2-{[(diethylcarbamoyl)methyl]sulfanyl}-N-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K611-0069
4-amino-2-{[(diethylcarbamoyl)methyl]sulfanyl}-N-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide

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

K611-0069

Molecular Formula

C17H22N4O3S2 (C17 H22 N4 O3 S2)

Compound Name

4-amino-2-{[(diethylcarbamoyl)methyl]sulfanyl}-N-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide

IUPAC name

4-amino-2-{[(diethylcarbamoyl)methyl]sulfanyl}-N-(4-methoxyphenyl)-13-thiazole-5-carboxamide

SMILES

CCN(CC)C(CSc1nc(N)c(C(Nc(cc2)ccc2OC)=O)s1)=O

InChI

InChI=1S/C17H22N4O3S2/c1-4-21(5-2)13(22)10-25-17-20-15(18)14(26-17)16(23)19-11-6-8-12(24-3)9-7-11/h6-9H,4-5,10,18H2,1-3H3,(H,19,23)

InChI Key

WQHKLGZOPQGCCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02652335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.636

Distribution Coefficient, logD

2.636

Water Solubility, LogSw

-3.14

Polar Surface Area

76.341

Acid Dissociation Constant (pKa)

12.62

Base Dissociation Constant (pKb)

2.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

K611-0069 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with K611-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K611-0069?
Check Price and Availability of K611-0069, 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 K611-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K611-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K611-0069
  • 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 K611-0069 available by request