V007-0400 Screening compound: 5-tert-butyl-2-(2,4-difluorophenyl)-1,3-benzoxazole

V007-0400 Screening compound: 5-tert-butyl-2-(2,4-difluorophenyl)-1,3-benzoxazole
V007-0400 Screening compound: 5-tert-butyl-2-(2,4-difluorophenyl)-1,3-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-0400
5-tert-butyl-2-(2,4-difluorophenyl)-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

V007-0400

Molecular Formula

C17H15F2NO (C17 H15 F2 NO)

Compound Name

5-tert-butyl-2-(2,4-difluorophenyl)-1,3-benzoxazole

IUPAC name

5-tert-butyl-2-(24-difluorophenyl)-13-benzoxazole

SMILES

CC(C)(C)c(cc1)cc2c1oc(-c(ccc(F)c1)c1F)n2

InChI

InChI=1S/C17H15F2NO/c1-17(2,3)10-4-7-15-14(8-10)20-16(21-15)12-6-5-11(18)9-13(12)19/h4-9H,1-3H3

InChI Key

GXMQJHHGKDIQMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19951112

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.31

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

5.369

Distribution Coefficient, logD

5.369

Water Solubility, LogSw

-5.59

Polar Surface Area

17.049

Acid Dissociation Constant (pKa)

30.17

Base Dissociation Constant (pKb)

-1.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

V007-0400 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
  • Eye
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with V007-0400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-0400?
Check Price and Availability of V007-0400, 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 V007-0400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-0400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-0400
  • 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 V007-0400 available by request