V013-1128 Screening compound: N-[(3-methylphenyl)methyl]-N-{4-[(propylcarbamoyl)methyl]phenyl}propanamide

V013-1128 Screening compound: N-[(3-methylphenyl)methyl]-N-{4-[(propylcarbamoyl)methyl]phenyl}propanamide
V013-1128 Screening compound: N-[(3-methylphenyl)methyl]-N-{4-[(propylcarbamoyl)methyl]phenyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-1128
N-[(3-methylphenyl)methyl]-N-{4-[(propylcarbamoyl)methyl]phenyl}propanamide

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

V013-1128

Molecular Formula

C22H28N2O2 (C22 H28 N2 O2)

Compound Name

N-[(3-methylphenyl)methyl]-N-{4-[(propylcarbamoyl)methyl]phenyl}propanamide

IUPAC name

N-[(3-methylphenyl)methyl]-N-{4-[(propylcarbamoyl)methyl]phenyl}propanamide

SMILES

CCCNC(Cc(cc1)ccc1N(Cc1cc(C)ccc1)C(CC)=O)=O

InChI

InChI=1S/C22H28N2O2/c1-4-13-23-21(25)15-18-9-11-20(12-10-18)24(22(26)5-2)16-19-8-6-7-17(3)14-19/h6-12,14H,4-5,13,15-16H2,1-3H3,(H,23,25)

InChI Key

LLYVBBMMMRYSGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19910849

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.887

Distribution Coefficient, logD

3.887

Water Solubility, LogSw

-3.83

Polar Surface Area

39.647

Acid Dissociation Constant (pKa)

15.09

Base Dissociation Constant (pKb)

0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

V013-1128 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V013-1128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-1128?
Check Price and Availability of V013-1128, 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 V013-1128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-1128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-1128
  • 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 V013-1128 available by request