V004-0627 Screening compound: 5-tert-butyl-2-(6-methoxynaphthalen-2-yl)-1,3-benzoxazole

V004-0627 Screening compound: 5-tert-butyl-2-(6-methoxynaphthalen-2-yl)-1,3-benzoxazole
V004-0627 Screening compound: 5-tert-butyl-2-(6-methoxynaphthalen-2-yl)-1,3-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-0627
5-tert-butyl-2-(6-methoxynaphthalen-2-yl)-1,3-benzoxazole

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

V004-0627

Molecular Formula

C22H21NO2 (C22 H21 NO2)

Compound Name

5-tert-butyl-2-(6-methoxynaphthalen-2-yl)-1,3-benzoxazole

IUPAC name

5-tert-butyl-2-(6-methoxynaphthalen-2-yl)-13-benzoxazole

SMILES

CC(C)(C)c(cc1)cc2c1oc(-c(ccc1c3)cc1ccc3OC)n2

InChI

InChI=1S/C22H21NO2/c1-22(2,3)17-8-10-20-19(13-17)23-21(25-20)16-6-5-15-12-18(24-4)9-7-14(15)11-16/h5-13H,1-4H3

InChI Key

XITSFNGVIZPQNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19951301

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.362

Distribution Coefficient, logD

6.362

Water Solubility, LogSw

-6.10

Polar Surface Area

24.321

Acid Dissociation Constant (pKa)

30.17

Base Dissociation Constant (pKb)

0.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

V004-0627 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with V004-0627 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-0627?
Check Price and Availability of V004-0627, 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 V004-0627 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-0627
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-0627
  • 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 V004-0627 available by request