V016-0480 Screening compound: 5-tert-butyl-2-(2-methylphenyl)-1,3-benzoxazole

V016-0480 Screening compound: 5-tert-butyl-2-(2-methylphenyl)-1,3-benzoxazole
V016-0480 Screening compound: 5-tert-butyl-2-(2-methylphenyl)-1,3-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-0480
5-tert-butyl-2-(2-methylphenyl)-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

V016-0480

Molecular Formula

C18H19NO (C18 H19 NO)

Compound Name

5-tert-butyl-2-(2-methylphenyl)-1,3-benzoxazole

IUPAC name

5-tert-butyl-2-(2-methylphenyl)-13-benzoxazole

SMILES

CC(C)(C)c(cc1)cc2c1oc(-c1c(C)cccc1)n2

InChI

InChI=1S/C18H19NO/c1-12-7-5-6-8-14(12)17-19-15-11-13(18(2,3)4)9-10-16(15)20-17/h5-11H,1-4H3

InChI Key

BMQJJTPGRIMIER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19947653

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

265.36

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.360

Distribution Coefficient, logD

5.360

Water Solubility, LogSw

-5.47

Polar Surface Area

17.049

Acid Dissociation Constant (pKa)

28.67

Base Dissociation Constant (pKb)

-0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

V016-0480 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with V016-0480 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-0480?
Check Price and Availability of V016-0480, 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 V016-0480 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-0480
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-0480
  • 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 V016-0480 available by request