V009-0391 Screening compound: N-CYCLOPROPYL-5-[({4-ETHYL-6-[4-(2-FLUOROPHENYL)PIPERAZIN-1-YL]PYRIMIDIN-2-YL}SULFANYL)METHYL]FURAN-2-CARBOXAMIDE

V009-0391 Screening compound: N-CYCLOPROPYL-5-[({4-ETHYL-6-[4-(2-FLUOROPHENYL)PIPERAZIN-1-YL]PYRIMIDIN-2-YL}SULFANYL)METHYL]FURAN-2-CARBOXAMIDE
V009-0391 Screening compound: N-CYCLOPROPYL-5-[({4-ETHYL-6-[4-(2-FLUOROPHENYL)PIPERAZIN-1-YL]PYRIMIDIN-2-YL}SULFANYL)METHYL]FURAN-2-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-0391
N-CYCLOPROPYL-5-[({4-ETHYL-6-[4-(2-FLUOROPHENYL)PIPERAZIN-1-YL]PYRIMIDIN-2-YL}SULFANYL)METHYL]FURAN-2-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

V009-0391

Molecular Formula

C25H28FN5O2S (C25 H28 FN5 O2 S)

Compound Name

N-CYCLOPROPYL-5-[({4-ETHYL-6-[4-(2-FLUOROPHENYL)PIPERAZIN-1-YL]PYRIMIDIN-2-YL}SULFANYL)METHYL]FURAN-2-CARBOXAMIDE

IUPAC name

n/a

SMILES

CCc1nc(SCc2ccc(C(NC3CC3)=O)o2)nc(N(CC2)CCN2c(cccc2)c2F)c1

InChI

InChI=1S/C25H28FN5O2S/c1-2-17-15-23(31-13-11-30(12-14-31)21-6-4-3-5-20(21)26)29-25(28-17)34-16-19-9-10-22(33-19)24(32)27-18-7-8-18/h3-6,9-10,15,18H,2,7-8,11-14,16H2,1H3,(H,27,32)

InChI Key

LOUPDKRPLBSSQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19817818

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

481.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.512

Distribution Coefficient, logD

5.512

Water Solubility, LogSw

-5.37

Polar Surface Area

55.942

Acid Dissociation Constant (pKa)

12.97

Base Dissociation Constant (pKb)

4.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

V009-0391 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

GPCR Targeted Library (31838 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V009-0391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-0391?
Check Price and Availability of V009-0391, 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 V009-0391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-0391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-0391
  • 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 V009-0391 available by request