V002-0179 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl}-4-methylbenzamide

V002-0179 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl}-4-methylbenzamide
V002-0179 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl}-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-0179
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl}-4-methylbenzamide

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

V002-0179

Molecular Formula

C27H24N2O5 (C27 H24 N2 O5)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl}-4-methylbenzamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-N-{[5-(4-methoxyphenyl)-12-oxazol-3-yl]methyl}-4-methylbenzamide

SMILES

Cc(cc1)ccc1C(N(Cc1noc(-c(cc2)ccc2OC)c1)Cc(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C27H24N2O5/c1-18-3-6-21(7-4-18)27(30)29(15-19-5-12-24-26(13-19)33-17-32-24)16-22-14-25(34-28-22)20-8-10-23(31-2)11-9-20/h3-14H,15-17H2,1-2H3

InChI Key

ISYDWZUGXBDOIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19814731

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.076

Distribution Coefficient, logD

5.076

Water Solubility, LogSw

-4.88

Polar Surface Area

62.868

Acid Dissociation Constant (pKa)

27.37

Base Dissociation Constant (pKb)

-6.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

V002-0179 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V002-0179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-0179?
Check Price and Availability of V002-0179, 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 V002-0179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-0179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-0179
  • 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 V002-0179 available by request