F018-2857 Screening compound: N-[4-chloro-1-(2-chloro-4-fluorobenzyl)-1H-pyrazol-3-yl]-5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]-3-isoxazolecarboxamide

F018-2857 Screening compound: N-[4-chloro-1-(2-chloro-4-fluorobenzyl)-1H-pyrazol-3-yl]-5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]-3-isoxazolecarboxamide
F018-2857 Screening compound: N-[4-chloro-1-(2-chloro-4-fluorobenzyl)-1H-pyrazol-3-yl]-5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]-3-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F018-2857
N-[4-chloro-1-(2-chloro-4-fluorobenzyl)-1H-pyrazol-3-yl]-5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]-3-isoxazolecarboxamide

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

F018-2857

Molecular Formula

C19H14Cl2FN7O4 (C19 H14 Cl2 FN7 O4)

Compound Name

N-[4-chloro-1-(2-chloro-4-fluorobenzyl)-1H-pyrazol-3-yl]-5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]-3-isoxazolecarboxamide

IUPAC name

N-{4-chloro-1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]-12-oxazole-3-carboxamide

SMILES

Cc1c(Cn2ncc([N+]([O-])=O)c2)c(C(Nc2nn(Cc(ccc(F)c3)c3Cl)cc2Cl)=O)no1

InChI

InChI=1S/C19H14Cl2FN7O4/c1-10-14(8-27-7-13(5-23-27)29(31)32)17(26-33-10)19(30)24-18-16(21)9-28(25-18)6-11-2-3-12(22)4-15(11)20/h2-5,7,9H,6,8H2,1H3,(H,24,25,30)

InChI Key

XEOGAOGJIDYUCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08554172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.27

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.295

Distribution Coefficient, logD

2.890

Water Solubility, LogSw

-3.58

Polar Surface Area

108.370

Acid Dissociation Constant (pKa)

7.21

Base Dissociation Constant (pKb)

-1.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.79

References: we are preparing a list of scientific research reports with F018-2857 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of F018-2857 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F018-2857
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F018-2857
  • 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 F018-2857 available by request