V012-9523 Screening compound: N-[(3-methylphenyl)methyl]-N-[4-({[(oxolan-2-yl)methyl]carbamoyl}methyl)phenyl]benzamide

V012-9523 Screening compound: N-[(3-methylphenyl)methyl]-N-[4-({[(oxolan-2-yl)methyl]carbamoyl}methyl)phenyl]benzamide
V012-9523 Screening compound: N-[(3-methylphenyl)methyl]-N-[4-({[(oxolan-2-yl)methyl]carbamoyl}methyl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-9523
N-[(3-methylphenyl)methyl]-N-[4-({[(oxolan-2-yl)methyl]carbamoyl}methyl)phenyl]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

V012-9523

Molecular Formula

C28H30N2O3 (C28 H30 N2 O3)

Compound Name

N-[(3-methylphenyl)methyl]-N-[4-({[(oxolan-2-yl)methyl]carbamoyl}methyl)phenyl]benzamide

IUPAC name

N-[(3-methylphenyl)methyl]-N-[4-({[(oxolan-2-yl)methyl]carbamoyl}methyl)phenyl]benzamide

SMILES

Cc1cccc(CN(C(c2ccccc2)=O)c2ccc(CC(NCC3OCCC3)=O)cc2)c1

InChI

InChI=1S/C28H30N2O3/c1-21-7-5-8-23(17-21)20-30(28(32)24-9-3-2-4-10-24)25-14-12-22(13-15-25)18-27(31)29-19-26-11-6-16-33-26/h2-5,7-10,12-15,17,26H,6,11,16,18-20H2,1H3,(H,29,31)/t26-/m1/s1

InChI Key

MTJUTWQAXWGWPR-AREMUKBSSA-N

MDL Number (MFCD)

MFCD19903837

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.085

Distribution Coefficient, logD

4.085

Water Solubility, LogSw

-4.22

Polar Surface Area

48.444

Acid Dissociation Constant (pKa)

13.77

Base Dissociation Constant (pKb)

-0.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

V012-9523 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V012-9523 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-9523?
Check Price and Availability of V012-9523, 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 V012-9523 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-9523
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-9523
  • 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 V012-9523 available by request