K889-1428 Screening compound: N1-[2-(2

K889-1428 Screening compound: N1-[2-(2
K889-1428 Screening compound: N1-[2-(2 alternative view

Chemical Structure Depiction of ChemDiv screening compound K889-1428
N1-[2-(2

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

K889-1428

Molecular Formula

C20H18F2N4O3S (C20 H18 F2 N4 O3 S)

Compound Name

N1-[2-(2

IUPAC name

n/a

SMILES

O=C(CNC(CN(C=Nc1c2c(CCCC3)c3s1)C2=O)=O)Nc(ccc(F)c1)c1F

InChI

InChI=1S/C20H18F2N4O3S/c21-11-5-6-14(13(22)7-11)25-16(27)8-23-17(28)9-26-10-24-19-18(20(26)29)12-3-1-2-4-15(12)30-19/h5-7,10H,1-4,8-9H2,(H,23,28)(H,25,27)

InChI Key

PRJXGGWXYZQWAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05033285

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.526

Distribution Coefficient, logD

2.518

Water Solubility, LogSw

-2.99

Polar Surface Area

73.085

Acid Dissociation Constant (pKa)

9.13

Base Dissociation Constant (pKb)

-0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.00

K889-1428 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K889-1428 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K889-1428?
Check Price and Availability of K889-1428, 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 K889-1428 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K889-1428
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K889-1428
  • 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 K889-1428 available by request