V013-1743 Screening compound: N-(3,5-difluorobenzyl)-5-(2-furyl)-3-methyl-4-isoxazolecarboxamide

V013-1743 Screening compound: N-(3,5-difluorobenzyl)-5-(2-furyl)-3-methyl-4-isoxazolecarboxamide
V013-1743 Screening compound: N-(3,5-difluorobenzyl)-5-(2-furyl)-3-methyl-4-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-1743
N-(3,5-difluorobenzyl)-5-(2-furyl)-3-methyl-4-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

V013-1743

Molecular Formula

C16H12F2N2O3 (C16 H12 F2 N2 O3)

Compound Name

N-(3,5-difluorobenzyl)-5-(2-furyl)-3-methyl-4-isoxazolecarboxamide

IUPAC name

N-[(35-difluorophenyl)methyl]-5-(furan-2-yl)-3-methyl-12-oxazole-4-carboxamide

SMILES

Cc1noc(-c2ccco2)c1C(NCc1cc(F)cc(F)c1)=O

InChI

InChI=1S/C16H12F2N2O3/c1-9-14(15(23-20-9)13-3-2-4-22-13)16(21)19-8-10-5-11(17)7-12(18)6-10/h2-7H,8H2,1H3,(H,19,21)

InChI Key

PGWNOQGPQJWTGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19959310

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.023

Distribution Coefficient, logD

3.023

Water Solubility, LogSw

-3.25

Polar Surface Area

55.575

Acid Dissociation Constant (pKa)

12.47

Base Dissociation Constant (pKb)

-2.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

V013-1743 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V013-1743 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-1743?
Check Price and Availability of V013-1743, 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 V013-1743 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-1743
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-1743
  • 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 V013-1743 available by request