V009-8477 Screening compound: N-(2-furylmethyl)-N'-isopropyl-N-{[3-phenyl-5-(1-pyrrolidinyl)-4-isoxazolyl]methyl}urea

V009-8477 Screening compound: N-(2-furylmethyl)-N'-isopropyl-N-{[3-phenyl-5-(1-pyrrolidinyl)-4-isoxazolyl]methyl}urea
V009-8477 Screening compound: N-(2-furylmethyl)-N'-isopropyl-N-{[3-phenyl-5-(1-pyrrolidinyl)-4-isoxazolyl]methyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-8477
N-(2-furylmethyl)-N'-isopropyl-N-{[3-phenyl-5-(1-pyrrolidinyl)-4-isoxazolyl]methyl}urea

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

V009-8477

Molecular Formula

C23H28N4O3 (C23 H28 N4 O3)

Compound Name

N-(2-furylmethyl)-N'-isopropyl-N-{[3-phenyl-5-(1-pyrrolidinyl)-4-isoxazolyl]methyl}urea

IUPAC name

1-[(furan-2-yl)methyl]-1-{[3-phenyl-5-(pyrrolidin-1-yl)-12-oxazol-4-yl]methyl}-3-(propan-2-yl)urea

SMILES

CC(C)NC(N(Cc1ccco1)Cc1c(N2CCCC2)onc1-c1ccccc1)=O

InChI

InChI=1S/C23H28N4O3/c1-17(2)24-23(28)27(15-19-11-8-14-29-19)16-20-21(18-9-4-3-5-10-18)25-30-22(20)26-12-6-7-13-26/h3-5,8-11,14,17H,6-7,12-13,15-16H2,1-2H3,(H,24,28)

InChI Key

ZKMAYIAALXCTPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19870803

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

408.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.284

Distribution Coefficient, logD

4.284

Water Solubility, LogSw

-4.11

Polar Surface Area

59.980

Acid Dissociation Constant (pKa)

17.04

Base Dissociation Constant (pKb)

0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.13

V009-8477 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V009-8477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-8477?
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What is the minimum amount of V009-8477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-8477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-8477
  • 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 V009-8477 available by request