V028-4727 Screening compound: 1-(3-METHOXYBENZYL)-5-OXO-N-(3-PYRIDYLMETHYL)-3-PYRROLIDINECARBOXAMIDE

V028-4727 Screening compound: 1-(3-METHOXYBENZYL)-5-OXO-N-(3-PYRIDYLMETHYL)-3-PYRROLIDINECARBOXAMIDE
V028-4727 Screening compound: 1-(3-METHOXYBENZYL)-5-OXO-N-(3-PYRIDYLMETHYL)-3-PYRROLIDINECARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-4727
1-(3-METHOXYBENZYL)-5-OXO-N-(3-PYRIDYLMETHYL)-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

V028-4727

Molecular Formula

C19H21N3O3 (C19 H21 N3 O3)

Compound Name

1-(3-METHOXYBENZYL)-5-OXO-N-(3-PYRIDYLMETHYL)-3-PYRROLIDINECARBOXAMIDE

IUPAC name

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

SMILES

COc1cccc(CN(CC(C2)C(NCc3cnccc3)=O)C2=O)c1

InChI

InChI=1S/C19H21N3O3/c1-25-17-6-2-4-14(8-17)12-22-13-16(9-18(22)23)19(24)21-11-15-5-3-7-20-10-15/h2-8,10,16H,9,11-13H2,1H3,(H,21,24)/t16-/m1/s1

InChI Key

AGXNGWPQHZLKIU-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD19971963

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.39

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

0.411

Distribution Coefficient, logD

0.409

Water Solubility, LogSw

-1.27

Polar Surface Area

58.909

Acid Dissociation Constant (pKa)

13.21

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.58

V028-4727 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V028-4727 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-4727?
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What is the minimum amount of V028-4727 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-4727
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-4727
  • 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 V028-4727 available by request