F731-0145 Screening compound: 4-butoxy-N~1~-(11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)benzamide

F731-0145 Screening compound: 4-butoxy-N~1~-(11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)benzamide
F731-0145 Screening compound: 4-butoxy-N~1~-(11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F731-0145
4-butoxy-N~1~-(11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-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

F731-0145

Molecular Formula

C24H22N2O4 (C24 H22 N2 O4)

Compound Name

4-butoxy-N~1~-(11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)benzamide

IUPAC name

4-butoxy-N-{10-oxo-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaen-13-yl}benzamide

SMILES

CCCCOc(cc1)ccc1C(Nc(cc1)cc2c1Oc(cccc1)c1NC2=O)=O

InChI

InChI=1S/C24H22N2O4/c1-2-3-14-29-18-11-8-16(9-12-18)23(27)25-17-10-13-21-19(15-17)24(28)26-20-6-4-5-7-22(20)30-21/h4-13,15H,2-3,14H2,1H3,(H,25,27)(H,26,28)

InChI Key

NMXRGKLMCZCUOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08938456

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.363

Distribution Coefficient, logD

5.351

Water Solubility, LogSw

-5.33

Polar Surface Area

62.849

Acid Dissociation Constant (pKa)

8.98

Base Dissociation Constant (pKb)

-1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

F731-0145 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F731-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F731-0145?
Check Price and Availability of F731-0145, 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 F731-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F731-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F731-0145
  • 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 F731-0145 available by request