J096-0108 Screening compound: N-[4-(aminocarbonyl)-2-(methylamino)-1,3-thiazol-5-yl]-5-(4-fluorophenyl)-3-isoxazolecarboxamide

J096-0108 Screening compound: N-[4-(aminocarbonyl)-2-(methylamino)-1,3-thiazol-5-yl]-5-(4-fluorophenyl)-3-isoxazolecarboxamide
J096-0108 Screening compound: N-[4-(aminocarbonyl)-2-(methylamino)-1,3-thiazol-5-yl]-5-(4-fluorophenyl)-3-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J096-0108
N-[4-(aminocarbonyl)-2-(methylamino)-1,3-thiazol-5-yl]-5-(4-fluorophenyl)-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

J096-0108

Molecular Formula

C15H12FN5O3S (C15 H12 FN5 O3 S)

Compound Name

N-[4-(aminocarbonyl)-2-(methylamino)-1,3-thiazol-5-yl]-5-(4-fluorophenyl)-3-isoxazolecarboxamide

IUPAC name

N-[4-carbamoyl-2-(methylamino)-13-thiazol-5-yl]-5-(4-fluorophenyl)-12-oxazole-3-carboxamide

SMILES

CNc1nc(C(N)=O)c(NC(c2noc(-c(cc3)ccc3F)c2)=O)s1

InChI

InChI=1S/C15H12FN5O3S/c1-18-15-19-11(12(17)22)14(25-15)20-13(23)9-6-10(24-21-9)7-2-4-8(16)5-3-7/h2-6H,1H3,(H2,17,22)(H,18,19)(H,20,23)

InChI Key

BOWNZCFNBGVSHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12130011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.931

Distribution Coefficient, logD

1.927

Water Solubility, LogSw

-2.80

Polar Surface Area

99.173

Acid Dissociation Constant (pKa)

9.41

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.67

J096-0108 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

GPCR Targeted Library (31838 compounds)

Hsp90-Targeted Library (11355 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Antibacterial Compounds Library (13827 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Infections
  • Immune system
  • animal
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with J096-0108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J096-0108?
Check Price and Availability of J096-0108, 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 J096-0108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J096-0108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J096-0108
  • 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 J096-0108 available by request