V013-0908 Screening compound: 2-{3-[benzyl(2-methoxyacetyl)amino]phenyl}-N~1~-isopropylacetamide

V013-0908 Screening compound: 2-{3-[benzyl(2-methoxyacetyl)amino]phenyl}-N~1~-isopropylacetamide
V013-0908 Screening compound: 2-{3-[benzyl(2-methoxyacetyl)amino]phenyl}-N~1~-isopropylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-0908
2-{3-[benzyl(2-methoxyacetyl)amino]phenyl}-N~1~-isopropylacetamide

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

V013-0908

Molecular Formula

C21H26N2O3 (C21 H26 N2 O3)

Compound Name

2-{3-[benzyl(2-methoxyacetyl)amino]phenyl}-N~1~-isopropylacetamide

IUPAC name

N-benzyl-2-methoxy-N-(3-{[(propan-2-yl)carbamoyl]methyl}phenyl)acetamide

SMILES

CC(C)NC(Cc1cccc(N(Cc2ccccc2)C(COC)=O)c1)=O

InChI

InChI=1S/C21H26N2O3/c1-16(2)22-20(24)13-18-10-7-11-19(12-18)23(21(25)15-26-3)14-17-8-5-4-6-9-17/h4-12,16H,13-15H2,1-3H3,(H,22,24)

InChI Key

SBNDMWXVHNWCHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19915252

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.45

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

2.539

Distribution Coefficient, logD

2.539

Water Solubility, LogSw

-2.92

Polar Surface Area

47.203

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

V013-0908 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V013-0908 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-0908?
Check Price and Availability of V013-0908, 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 V013-0908 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-0908
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-0908
  • 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 V013-0908 available by request