M058-0800 Screening compound: 5-ISOBUTYL-N2-(3-METHOXYBENZYL)-1-METHYL-4-OXO-4

M058-0800 Screening compound: 5-ISOBUTYL-N2-(3-METHOXYBENZYL)-1-METHYL-4-OXO-4
M058-0800 Screening compound: 5-ISOBUTYL-N2-(3-METHOXYBENZYL)-1-METHYL-4-OXO-4 alternative view

Chemical Structure Depiction of ChemDiv screening compound M058-0800
5-ISOBUTYL-N2-(3-METHOXYBENZYL)-1-METHYL-4-OXO-4

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

M058-0800

Molecular Formula

C21H25N3O3 (C21 H25 N3 O3)

Compound Name

5-ISOBUTYL-N2-(3-METHOXYBENZYL)-1-METHYL-4-OXO-4

IUPAC name

n/a

SMILES

CC(C)CN(C=Cc1c2cc(C(NCc3cc(OC)ccc3)=O)n1C)C2=O

InChI

InChI=1S/C21H25N3O3/c1-14(2)13-24-9-8-18-17(21(24)26)11-19(23(18)3)20(25)22-12-15-6-5-7-16(10-15)27-4/h5-11,14H,12-13H2,1-4H3,(H,22,25)

InChI Key

NYBWKECEZOUVJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27494773

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.072

Distribution Coefficient, logD

3.072

Water Solubility, LogSw

-3.47

Polar Surface Area

49.927

Acid Dissociation Constant (pKa)

11.24

Base Dissociation Constant (pKb)

-2.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

M058-0800 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with M058-0800 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M058-0800?
Check Price and Availability of M058-0800, 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 M058-0800 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M058-0800
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M058-0800
  • 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 M058-0800 available by request