V028-5542 Screening compound: 1-[(4-methoxyphenyl)methyl]-5-oxo-N-[(pyridin-4-yl)methyl]pyrrolidine-3-carboxamide

V028-5542 Screening compound: 1-[(4-methoxyphenyl)methyl]-5-oxo-N-[(pyridin-4-yl)methyl]pyrrolidine-3-carboxamide
V028-5542 Screening compound: 1-[(4-methoxyphenyl)methyl]-5-oxo-N-[(pyridin-4-yl)methyl]pyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-5542
1-[(4-methoxyphenyl)methyl]-5-oxo-N-[(pyridin-4-yl)methyl]pyrrolidine-3-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

V028-5542

Molecular Formula

C19H21N3O3 (C19 H21 N3 O3)

Compound Name

1-[(4-methoxyphenyl)methyl]-5-oxo-N-[(pyridin-4-yl)methyl]pyrrolidine-3-carboxamide

IUPAC name

1-[(4-methoxyphenyl)methyl]-5-oxo-N-[(pyridin-4-yl)methyl]pyrrolidine-3-carboxamide

SMILES

COc1ccc(CN(CC(C2)C(NCc3ccncc3)=O)C2=O)cc1

InChI

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

InChI Key

PKCIYWIMUQNSHH-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD19971904

Chemical and Physical Properties

Saltdata

not_available

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

0.209

Distribution Coefficient, logD

0.206

Water Solubility, LogSw

-1.13

Polar Surface Area

58.819

Acid Dissociation Constant (pKa)

12.85

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

V028-5542 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V028-5542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-5542?
Check Price and Availability of V028-5542, 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 V028-5542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-5542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-5542
  • 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 V028-5542 available by request