F731-0127 Screening compound: N~1~-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)benzamide

F731-0127 Screening compound: N~1~-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)benzamide
F731-0127 Screening compound: N~1~-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F731-0127
N~1~-(10-ethyl-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

F731-0127

Molecular Formula

C22H18N2O3 (C22 H18 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

CCN(c(cccc1)c1Oc(cc1)c2cc1NC(c1ccccc1)=O)C2=O

InChI

InChI=1S/C22H18N2O3/c1-2-24-18-10-6-7-11-20(18)27-19-13-12-16(14-17(19)22(24)26)23-21(25)15-8-4-3-5-9-15/h3-14H,2H2,1H3,(H,23,25)

InChI Key

DBDCESVWXXWXSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08938427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.146

Distribution Coefficient, logD

4.146

Water Solubility, LogSw

-4.29

Polar Surface Area

45.653

Acid Dissociation Constant (pKa)

10.77

Base Dissociation Constant (pKb)

-1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

F731-0127 in Drug Discovery

Included in Screening Libraries

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 F731-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F731-0127?
Check Price and Availability of F731-0127, 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 F731-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F731-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F731-0127
  • 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 F731-0127 available by request