V022-4205 Screening compound: 1-(3-methoxybenzyl)-5-oxo-N-(tetrahydro-2-furanylmethyl)-3-pyrrolidinecarboxamide

V022-4205 Screening compound: 1-(3-methoxybenzyl)-5-oxo-N-(tetrahydro-2-furanylmethyl)-3-pyrrolidinecarboxamide
V022-4205 Screening compound: 1-(3-methoxybenzyl)-5-oxo-N-(tetrahydro-2-furanylmethyl)-3-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-4205
1-(3-methoxybenzyl)-5-oxo-N-(tetrahydro-2-furanylmethyl)-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

V022-4205

Molecular Formula

C18H24N2O4 (C18 H24 N2 O4)

Compound Name

1-(3-methoxybenzyl)-5-oxo-N-(tetrahydro-2-furanylmethyl)-3-pyrrolidinecarboxamide

IUPAC name

1-[(3-methoxyphenyl)methyl]-5-oxo-N-[(oxolan-2-yl)methyl]pyrrolidine-3-carboxamide

SMILES

COc1cccc(CN(CC(C2)C(NCC3OCCC3)=O)C2=O)c1

InChI

InChI=1S/C18H24N2O4/c1-23-15-5-2-4-13(8-15)11-20-12-14(9-17(20)21)18(22)19-10-16-6-3-7-24-16/h2,4-5,8,14,16H,3,6-7,9-12H2,1H3,(H,19,22)

InChI Key

VZESBXFWZOQWAV-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.514

Distribution Coefficient, logD

0.514

Water Solubility, LogSw

-1.92

Polar Surface Area

58.046

Acid Dissociation Constant (pKa)

13.61

Base Dissociation Constant (pKb)

-2.13

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.56

V022-4205 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V022-4205 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-4205?
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What is the minimum amount of V022-4205 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-4205
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-4205
  • 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 V022-4205 available by request