F784-0252 Screening compound: N-[1-methyl-2-(2-phenylethyl)-1H-1,3-benzodiazol-5-yl]-2-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamide

F784-0252 Screening compound: N-[1-methyl-2-(2-phenylethyl)-1H-1,3-benzodiazol-5-yl]-2-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamide
F784-0252 Screening compound: N-[1-methyl-2-(2-phenylethyl)-1H-1,3-benzodiazol-5-yl]-2-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F784-0252
N-[1-methyl-2-(2-phenylethyl)-1H-1,3-benzodiazol-5-yl]-2-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)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

F784-0252

Molecular Formula

C27H26N4O3 (C27 H26 N4 O3)

Compound Name

N-[1-methyl-2-(2-phenylethyl)-1H-1,3-benzodiazol-5-yl]-2-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamide

IUPAC name

N-[1-methyl-2-(2-phenylethyl)-1H-13-benzodiazol-5-yl]-2-(2-methyl-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl)acetamide

SMILES

CC1Oc(cccc2)c2N(CC(Nc(cc2)cc3c2n(C)c(CCc2ccccc2)n3)=O)C1=O

InChI

InChI=1S/C27H26N4O3/c1-18-27(33)31(23-10-6-7-11-24(23)34-18)17-26(32)28-20-13-14-22-21(16-20)29-25(30(22)2)15-12-19-8-4-3-5-9-19/h3-11,13-14,16,18H,12,15,17H2,1-2H3,(H,28,32)/t18-/m0/s1

InChI Key

HQUIIKWIOJGQGA-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27189765

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.526

Distribution Coefficient, logD

4.343

Water Solubility, LogSw

-4.38

Polar Surface Area

57.936

Acid Dissociation Constant (pKa)

12.28

Base Dissociation Constant (pKb)

7.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

F784-0252 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F784-0252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F784-0252?
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What is the minimum amount of F784-0252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F784-0252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F784-0252
  • 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 F784-0252 available by request