K232-0222 Screening compound: 3-(2-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-1,3-thiazol-4-yl)-8-methoxy-2H-chromen-2-one

K232-0222 Screening compound: 3-(2-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-1,3-thiazol-4-yl)-8-methoxy-2H-chromen-2-one
K232-0222 Screening compound: 3-(2-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-1,3-thiazol-4-yl)-8-methoxy-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K232-0222
3-(2-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-1,3-thiazol-4-yl)-8-methoxy-2H-chromen-2-one

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

K232-0222

Molecular Formula

C20H12ClF3N2O3S (C20 H12 ClF3 N2 O3 S)

Compound Name

3-(2-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-1,3-thiazol-4-yl)-8-methoxy-2H-chromen-2-one

IUPAC name

3-(2-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-13-thiazol-4-yl)-8-methoxy-2H-chromen-2-one

SMILES

COc1cccc(C=C2c3csc(Nc(cc(C(F)(F)F)cc4)c4Cl)n3)c1OC2=O

InChI

InChI=1S/C20H12ClF3N2O3S/c1-28-16-4-2-3-10-7-12(18(27)29-17(10)16)15-9-30-19(26-15)25-14-8-11(20(22,23)24)5-6-13(14)21/h2-9H,1H3,(H,25,26)

InChI Key

LEMYTCXKQRYXFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02088407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.84

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

6.156

Distribution Coefficient, logD

6.156

Water Solubility, LogSw

-6.37

Polar Surface Area

46.464

Acid Dissociation Constant (pKa)

13.88

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

K232-0222 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with K232-0222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K232-0222?
Check Price and Availability of K232-0222, 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 K232-0222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K232-0222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K232-0222
  • 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 K232-0222 available by request