V026-5027 Screening compound: 2-fluoro-N-[2-(2,4,6-trimethylphenyl)-1,3-benzoxazol-5-yl]benzamide

V026-5027 Screening compound: 2-fluoro-N-[2-(2,4,6-trimethylphenyl)-1,3-benzoxazol-5-yl]benzamide
V026-5027 Screening compound: 2-fluoro-N-[2-(2,4,6-trimethylphenyl)-1,3-benzoxazol-5-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-5027
2-fluoro-N-[2-(2,4,6-trimethylphenyl)-1,3-benzoxazol-5-yl]benzamide

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

V026-5027

Molecular Formula

C23H19FN2O2 (C23 H19 FN2 O2)

Compound Name

2-fluoro-N-[2-(2,4,6-trimethylphenyl)-1,3-benzoxazol-5-yl]benzamide

IUPAC name

2-fluoro-N-[2-(246-trimethylphenyl)-13-benzoxazol-5-yl]benzamide

SMILES

Cc1cc(C)c(-c2nc(cc(cc3)NC(c(cccc4)c4F)=O)c3o2)c(C)c1

InChI

InChI=1S/C23H19FN2O2/c1-13-10-14(2)21(15(3)11-13)23-26-19-12-16(8-9-20(19)28-23)25-22(27)17-6-4-5-7-18(17)24/h4-12H,1-3H3,(H,25,27)

InChI Key

NUJYFSPLUHVDMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19791470

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

374.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.855

Distribution Coefficient, logD

5.845

Water Solubility, LogSw

-5.52

Polar Surface Area

40.140

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

-2.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

V026-5027 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with V026-5027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-5027?
Check Price and Availability of V026-5027, 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 V026-5027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-5027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-5027
  • 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 V026-5027 available by request