3393-0145 Screening compound: 7-benzoyl-11-(2-furyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

3393-0145 Screening compound: 7-benzoyl-11-(2-furyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3393-0145 Screening compound: 7-benzoyl-11-(2-furyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3393-0145
7-benzoyl-11-(2-furyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

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

3393-0145

Molecular Formula

C26H24N2O3 (C26 H24 N2 O3)

Compound Name

7-benzoyl-11-(2-furyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

IUPAC name

5-benzoyl-10-(furan-2-yl)-1414-dimethyl-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraen-12-one

SMILES

CC(C)(C1)CC(Nc(cc(cc2)C(c3ccccc3)=O)c2NC2c3ccco3)=C2C1=O

InChI

InChI=1S/C26H24N2O3/c1-26(2)14-20-23(21(29)15-26)24(22-9-6-12-31-22)28-18-11-10-17(13-19(18)27-20)25(30)16-7-4-3-5-8-16/h3-13,24,27-28H,14-15H2,1-2H3/t24-/m0/s1

InChI Key

CCSRORRSMBJWLX-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD01829873

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.935

Distribution Coefficient, logD

4.855

Water Solubility, LogSw

-4.70

Polar Surface Area

58.794

Acid Dissociation Constant (pKa)

8.10

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

3393-0145 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3393-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3393-0145?
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What is the minimum amount of 3393-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3393-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3393-0145
  • 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 3393-0145 available by request