F731-0076 Screening compound: N~1~-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)-2,6-difluorobenzamide

F731-0076 Screening compound: N~1~-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)-2,6-difluorobenzamide
F731-0076 Screening compound: N~1~-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)-2,6-difluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F731-0076
N~1~-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)-2,6-difluorobenzamide

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

F731-0076

Molecular Formula

C22H16F2N2O3 (C22 H16 F2 N2 O3)

Compound Name

N~1~-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)-2,6-difluorobenzamide

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}-26-difluorobenzamide

SMILES

CCN(c(cccc1)c1Oc(cc1)c2cc1NC(c(c(F)ccc1)c1F)=O)C2=O

InChI

InChI=1S/C22H16F2N2O3/c1-2-26-17-8-3-4-9-19(17)29-18-11-10-13(12-14(18)22(26)28)25-21(27)20-15(23)6-5-7-16(20)24/h3-12H,2H2,1H3,(H,25,27)

InChI Key

GWMAKTRHTGBYAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08938366

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.38

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

4.546

Distribution Coefficient, logD

4.532

Water Solubility, LogSw

-4.49

Polar Surface Area

45.653

Acid Dissociation Constant (pKa)

8.89

Base Dissociation Constant (pKb)

-1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

F731-0076 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 F731-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F731-0076?
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What is the minimum amount of F731-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F731-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F731-0076
  • 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 F731-0076 available by request