K064-0052 Screening compound: 7-[(acridin-9-yl)amino]-4-(trifluoromethyl)-2H-chromen-2-one

K064-0052 Screening compound: 7-[(acridin-9-yl)amino]-4-(trifluoromethyl)-2H-chromen-2-one
K064-0052 Screening compound: 7-[(acridin-9-yl)amino]-4-(trifluoromethyl)-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K064-0052
7-[(acridin-9-yl)amino]-4-(trifluoromethyl)-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

K064-0052

Molecular Formula

C23H13F3N2O2 (C23 H13 F3 N2 O2)

Compound Name

7-[(acridin-9-yl)amino]-4-(trifluoromethyl)-2H-chromen-2-one

IUPAC name

7-[(acridin-9-yl)amino]-4-(trifluoromethyl)-2H-chromen-2-one

SMILES

O=C1Oc(cc(cc2)Nc3c(cccc4)c4nc4ccccc34)c2C(C(F)(F)F)=C1

InChI

InChI=1S/C23H13F3N2O2/c24-23(25,26)17-12-21(29)30-20-11-13(9-10-14(17)20)27-22-15-5-1-3-7-18(15)28-19-8-4-2-6-16(19)22/h1-12H,(H,27,28)

InChI Key

HLPYQPCDBFDTTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01843425

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.081

Distribution Coefficient, logD

2.236

Water Solubility, LogSw

-5.46

Polar Surface Area

36.208

Acid Dissociation Constant (pKa)

18.67

Base Dissociation Constant (pKb)

10.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

K064-0052 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K064-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K064-0052?
Check Price and Availability of K064-0052, 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 K064-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K064-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K064-0052
  • 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 K064-0052 available by request