Y204-4113 Screening compound: [3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl](1H-pyrazol-1-yl)methanone

Y204-4113 Screening compound: [3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl](1H-pyrazol-1-yl)methanone
Y204-4113 Screening compound: [3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl](1H-pyrazol-1-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y204-4113
[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl](1H-pyrazol-1-yl)methanone

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

Y204-4113

Molecular Formula

C14H9ClFN3O2 (C14 H9 ClFN3 O2)

Compound Name

[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl](1H-pyrazol-1-yl)methanone

IUPAC name

3-(2-chloro-6-fluorophenyl)-5-methyl-4-(1H-pyrazole-1-carbonyl)-12-oxazole

SMILES

Cc1c(C(n2nccc2)=O)c(-c(c(F)ccc2)c2Cl)no1

InChI

InChI=1S/C14H9ClFN3O2/c1-8-11(14(20)19-7-3-6-17-19)13(18-21-8)12-9(15)4-2-5-10(12)16/h2-7H,1H3

InChI Key

ZTBZFASSOLHEQH-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.7

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.101

Distribution Coefficient, logD

2.101

Water Solubility, LogSw

-3.10

Polar Surface Area

49.769

Acid Dissociation Constant (pKa)

26.34

Base Dissociation Constant (pKb)

-3.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.14

References: we are preparing a list of scientific research reports with Y204-4113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y204-4113?
Check Price and Availability of Y204-4113, 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 Y204-4113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y204-4113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y204-4113
  • 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 Y204-4113 available by request