F731-0252 Screening compound: 3,3-dimethyl-N~1~-(8-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)butanamide

F731-0252 Screening compound: 3,3-dimethyl-N~1~-(8-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)butanamide
F731-0252 Screening compound: 3,3-dimethyl-N~1~-(8-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F731-0252
3,3-dimethyl-N~1~-(8-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)butanamide

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

F731-0252

Molecular Formula

C20H22N2O3 (C20 H22 N2 O3)

Compound Name

3,3-dimethyl-N~1~-(8-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)butanamide

IUPAC name

33-dimethyl-N-{6-methyl-10-oxo-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaen-13-yl}butanamide

SMILES

CC(C)(C)CC(Nc(cc1)cc2c1Oc(ccc(C)c1)c1NC2=O)=O

InChI

InChI=1S/C20H22N2O3/c1-12-5-7-17-15(9-12)22-19(24)14-10-13(6-8-16(14)25-17)21-18(23)11-20(2,3)4/h5-10H,11H2,1-4H3,(H,21,23)(H,22,24)

InChI Key

PGPXIKRKJBXZIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08938607

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.246

Distribution Coefficient, logD

4.239

Water Solubility, LogSw

-4.46

Polar Surface Area

55.489

Acid Dissociation Constant (pKa)

9.16

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

F731-0252 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F731-0252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F731-0252?
Check Price and Availability of F731-0252, 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 F731-0252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F731-0252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F731-0252
  • 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 F731-0252 available by request