K504-3854 Screening compound: N-[2-chloro-5-(trifluoromethyl)pyridin-3-yl]-2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide

K504-3854 Screening compound: N-[2-chloro-5-(trifluoromethyl)pyridin-3-yl]-2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
K504-3854 Screening compound: N-[2-chloro-5-(trifluoromethyl)pyridin-3-yl]-2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K504-3854
N-[2-chloro-5-(trifluoromethyl)pyridin-3-yl]-2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide

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

K504-3854

Molecular Formula

C12H8Cl2F3N5O3 (C12 H8 Cl2 F3 N5 O3)

Compound Name

N-[2-chloro-5-(trifluoromethyl)pyridin-3-yl]-2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide

IUPAC name

N-[2-chloro-5-(trifluoromethyl)pyridin-3-yl]-2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide

SMILES

Cc(n(CC(Nc1cc(C(F)(F)F)cnc1Cl)=O)nc1[N+]([O-])=O)c1Cl

InChI

InChI=1S/C12H8Cl2F3N5O3/c1-5-9(13)11(22(24)25)20-21(5)4-8(23)19-7-2-6(12(15,16)17)3-18-10(7)14/h2-3H,4H2,1H3,(H,19,23)

InChI Key

NBTYYIRPKJNEBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02088702

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.13

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.292

Distribution Coefficient, logD

2.145

Water Solubility, LogSw

-3.64

Polar Surface Area

79.484

Acid Dissociation Constant (pKa)

7.80

Base Dissociation Constant (pKb)

-1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

K504-3854 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K504-3854 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K504-3854?
Check Price and Availability of K504-3854, 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 K504-3854 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K504-3854
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K504-3854
  • 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 K504-3854 available by request