G305-0361 Screening compound: N-[(4-fluorophenyl)methyl]-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)-N-[(pyridin-3-yl)methyl]acetamide

G305-0361 Screening compound: N-[(4-fluorophenyl)methyl]-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)-N-[(pyridin-3-yl)methyl]acetamide
G305-0361 Screening compound: N-[(4-fluorophenyl)methyl]-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)-N-[(pyridin-3-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G305-0361
N-[(4-fluorophenyl)methyl]-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)-N-[(pyridin-3-yl)methyl]acetamide

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

G305-0361

Molecular Formula

C22H18FN3O3 (C22 H18 FN3 O3)

Compound Name

N-[(4-fluorophenyl)methyl]-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)-N-[(pyridin-3-yl)methyl]acetamide

IUPAC name

N-[(4-fluorophenyl)methyl]-2-(2-oxo-23-dihydro-13-benzoxazol-3-yl)-N-[(pyridin-3-yl)methyl]acetamide

SMILES

O=C(CN(c(cccc1)c1O1)C1=O)N(Cc(cc1)ccc1F)Cc1cnccc1

InChI

InChI=1S/C22H18FN3O3/c23-18-9-7-16(8-10-18)13-25(14-17-4-3-11-24-12-17)21(27)15-26-19-5-1-2-6-20(19)29-22(26)28/h1-12H,13-15H2

InChI Key

VTMKERJWXRLXPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14996041

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.254

Distribution Coefficient, logD

2.253

Water Solubility, LogSw

-2.13

Polar Surface Area

48.268

Acid Dissociation Constant (pKa)

20.69

Base Dissociation Constant (pKb)

4.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

G305-0361 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G305-0361 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G305-0361?
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What is the minimum amount of G305-0361 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G305-0361
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G305-0361
  • 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 G305-0361 available by request