V003-5347 Screening compound: 1-CHLORO-2-FLUORO-N-{3-[5-(FURAN-2-YL)-3-(2-METHYLPROPOXY)-1H-1,2,4-TRIAZOL-1-YL]PHENYL}CYCLOPROPANE-1-CARBOXAMIDE

V003-5347 Screening compound: 1-CHLORO-2-FLUORO-N-{3-[5-(FURAN-2-YL)-3-(2-METHYLPROPOXY)-1H-1,2,4-TRIAZOL-1-YL]PHENYL}CYCLOPROPANE-1-CARBOXAMIDE
V003-5347 Screening compound: 1-CHLORO-2-FLUORO-N-{3-[5-(FURAN-2-YL)-3-(2-METHYLPROPOXY)-1H-1,2,4-TRIAZOL-1-YL]PHENYL}CYCLOPROPANE-1-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-5347
1-CHLORO-2-FLUORO-N-{3-[5-(FURAN-2-YL)-3-(2-METHYLPROPOXY)-1H-1,2,4-TRIAZOL-1-YL]PHENYL}CYCLOPROPANE-1-CARBOXAMIDE

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

V003-5347

Molecular Formula

C20H20ClFN4O3 (C20 H20 ClFN4 O3)

Compound Name

1-CHLORO-2-FLUORO-N-{3-[5-(FURAN-2-YL)-3-(2-METHYLPROPOXY)-1H-1,2,4-TRIAZOL-1-YL]PHENYL}CYCLOPROPANE-1-CARBOXAMIDE

IUPAC name

n/a

SMILES

CC(C)COc(nc1-c2ccco2)nn1-c1cccc(NC(C(C2)(C2F)Cl)=O)c1

InChI

InChI=1S/C20H20ClFN4O3/c1-12(2)11-29-19-24-17(15-7-4-8-28-15)26(25-19)14-6-3-5-13(9-14)23-18(27)20(21)10-16(20)22/h3-9,12,16H,10-11H2,1-2H3,(H,23,27)

InChI Key

WBMMISBCRUNXGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19977940

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

418.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.677

Distribution Coefficient, logD

4.677

Water Solubility, LogSw

-4.77

Polar Surface Area

63.382

Acid Dissociation Constant (pKa)

11.66

Base Dissociation Constant (pKb)

0.09

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.00

V003-5347 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V003-5347 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-5347?
Check Price and Availability of V003-5347, 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 V003-5347 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-5347
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-5347
  • 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 V003-5347 available by request