K025-0187A Screening compound: (2Z)-N-acetyl-6-bromo-2-{[4-(trifluoromethoxy)phenyl]imino}-2H-chromene-3-carboxamide

K025-0187A Screening compound: (2Z)-N-acetyl-6-bromo-2-{[4-(trifluoromethoxy)phenyl]imino}-2H-chromene-3-carboxamide
K025-0187A Screening compound: (2Z)-N-acetyl-6-bromo-2-{[4-(trifluoromethoxy)phenyl]imino}-2H-chromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K025-0187A
(2Z)-N-acetyl-6-bromo-2-{[4-(trifluoromethoxy)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

K025-0187A

Molecular Formula

C19H12BrF3N2O4 (C19 H12 BrF3 N2 O4)

Compound Name

(2Z)-N-acetyl-6-bromo-2-{[4-(trifluoromethoxy)phenyl]imino}-2H-chromene-3-carboxamide

IUPAC name

(2Z)-N-acetyl-6-bromo-2-{[4-(trifluoromethoxy)phenyl]imino}-2H-chromene-3-carboxamide

SMILES

CC(NC(C1=Cc(cc(cc2)Br)c2O/C1=N\c(cc1)ccc1OC(F)(F)F)=O)=O

InChI

InChI=1S/C19H12BrF3N2O4/c1-10(26)24-17(27)15-9-11-8-12(20)2-7-16(11)28-18(15)25-13-3-5-14(6-4-13)29-19(21,22)23/h2-9H,1H3,(H,24,26,27)

InChI Key

ZTMLKPXBJAXFRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01843269

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.21

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.952

Distribution Coefficient, logD

3.915

Water Solubility, LogSw

-4.12

Polar Surface Area

59.322

Acid Dissociation Constant (pKa)

8.45

Base Dissociation Constant (pKb)

1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with K025-0187A chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K025-0187A?
Check Price and Availability of K025-0187A, 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 K025-0187A you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K025-0187A
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K025-0187A
  • 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 K025-0187A available by request