V028-4482 Screening compound: 1-(2-methoxydibenzo[b,d]furan-3-yl)-2-oxo-N~3~-[3-(trifluoromethyl)phenyl]-3-pyrrolidinecarboxamide

V028-4482 Screening compound: 1-(2-methoxydibenzo[b,d]furan-3-yl)-2-oxo-N~3~-[3-(trifluoromethyl)phenyl]-3-pyrrolidinecarboxamide
V028-4482 Screening compound: 1-(2-methoxydibenzo[b,d]furan-3-yl)-2-oxo-N~3~-[3-(trifluoromethyl)phenyl]-3-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-4482
1-(2-methoxydibenzo[b,d]furan-3-yl)-2-oxo-N~3~-[3-(trifluoromethyl)phenyl]-3-pyrrolidinecarboxamide

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

V028-4482

Molecular Formula

C25H19F3N2O4 (C25 H19 F3 N2 O4)

Compound Name

1-(2-methoxydibenzo[b,d]furan-3-yl)-2-oxo-N~3~-[3-(trifluoromethyl)phenyl]-3-pyrrolidinecarboxamide

IUPAC name

1-{4-methoxy-8-oxatricyclo[7.4.0.0^{27}]trideca-1(9)2461012-hexaen-5-yl}-2-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

SMILES

COc(cc(c(cccc1)c1o1)c1c1)c1N(CCC1C(Nc2cccc(C(F)(F)F)c2)=O)C1=O

InChI

InChI=1S/C25H19F3N2O4/c1-33-22-12-18-16-7-2-3-8-20(16)34-21(18)13-19(22)30-10-9-17(24(30)32)23(31)29-15-6-4-5-14(11-15)25(26,27)28/h2-8,11-13,17H,9-10H2,1H3,(H,29,31)/t17-/m0/s1

InChI Key

PMWHJQRLDUKROR-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD19921799

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.794

Distribution Coefficient, logD

2.190

Water Solubility, LogSw

-5.98

Polar Surface Area

55.113

Acid Dissociation Constant (pKa)

3.80

Base Dissociation Constant (pKb)

-1.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

V028-4482 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V028-4482 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-4482?
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What is the minimum amount of V028-4482 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-4482
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-4482
  • 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 V028-4482 available by request