5169-0714 Screening compound: 2-(4-methoxybenzamido)-N-[3-methyl-1-oxo-1-(pyrrolidin-1-yl)butan-2-yl]benzamide

5169-0714 Screening compound: 2-(4-methoxybenzamido)-N-[3-methyl-1-oxo-1-(pyrrolidin-1-yl)butan-2-yl]benzamide
5169-0714 Screening compound: 2-(4-methoxybenzamido)-N-[3-methyl-1-oxo-1-(pyrrolidin-1-yl)butan-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5169-0714
2-(4-methoxybenzamido)-N-[3-methyl-1-oxo-1-(pyrrolidin-1-yl)butan-2-yl]benzamide

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

5169-0714

Molecular Formula

C24H29N3O4 (C24 H29 N3 O4)

Compound Name

2-(4-methoxybenzamido)-N-[3-methyl-1-oxo-1-(pyrrolidin-1-yl)butan-2-yl]benzamide

IUPAC name

2-(4-methoxybenzamido)-N-[3-methyl-1-oxo-1-(pyrrolidin-1-yl)butan-2-yl]benzamide

SMILES

CC(C)C(C(N1CCCC1)=O)NC(c(cccc1)c1NC(c(cc1)ccc1OC)=O)=O

InChI

InChI=1S/C24H29N3O4/c1-16(2)21(24(30)27-14-6-7-15-27)26-23(29)19-8-4-5-9-20(19)25-22(28)17-10-12-18(31-3)13-11-17/h4-5,8-13,16,21H,6-7,14-15H2,1-3H3,(H,25,28)(H,26,29)/t21-/m0/s1

InChI Key

VTWUUEYFEIBAQN-NRFANRHFSA-N

MDL Number (MFCD)

MFCD02731128

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.450

Distribution Coefficient, logD

3.446

Water Solubility, LogSw

-3.74

Polar Surface Area

71.227

Acid Dissociation Constant (pKa)

9.40

Base Dissociation Constant (pKb)

-1.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

5169-0714 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 5169-0714 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5169-0714?
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What is the minimum amount of 5169-0714 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5169-0714
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5169-0714
  • 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 5169-0714 available by request