K218-1369 Screening compound: (2Z)-N-(1,3-thiazol-2-yl)-2-{[3-(trifluoromethyl)phenyl]imino}-2H-chromene-3-carboxamide

K218-1369 Screening compound: (2Z)-N-(1,3-thiazol-2-yl)-2-{[3-(trifluoromethyl)phenyl]imino}-2H-chromene-3-carboxamide
K218-1369 Screening compound: (2Z)-N-(1,3-thiazol-2-yl)-2-{[3-(trifluoromethyl)phenyl]imino}-2H-chromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K218-1369
(2Z)-N-(1,3-thiazol-2-yl)-2-{[3-(trifluoromethyl)phenyl]imino}-2H-chromene-3-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

K218-1369

Molecular Formula

C20H12F3N3O2S (C20 H12 F3 N3 O2 S)

Compound Name

(2Z)-N-(1,3-thiazol-2-yl)-2-{[3-(trifluoromethyl)phenyl]imino}-2H-chromene-3-carboxamide

IUPAC name

(2Z)-N-(13-thiazol-2-yl)-2-{[3-(trifluoromethyl)phenyl]imino}-2H-chromene-3-carboxamide

SMILES

O=C(C1=Cc(cccc2)c2O/C1=N\c1cc(C(F)(F)F)ccc1)Nc1nccs1

InChI

InChI=1S/C20H12F3N3O2S/c21-20(22,23)13-5-3-6-14(11-13)25-18-15(17(27)26-19-24-8-9-29-19)10-12-4-1-2-7-16(12)28-18/h1-11H,(H,24,26,27)

InChI Key

MNNFSCMHFGILLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15081719

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.730

Distribution Coefficient, logD

4.706

Water Solubility, LogSw

-4.90

Polar Surface Area

49.515

Acid Dissociation Constant (pKa)

8.64

Base Dissociation Constant (pKb)

1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

K218-1369 in Drug Discovery

Included in Screening Libraries

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

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with K218-1369 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K218-1369?
Check Price and Availability of K218-1369, 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 K218-1369 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K218-1369
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K218-1369
  • 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 K218-1369 available by request