3393-0050 Screening compound: 11-(2-furyl)-10-hexanoyl-3-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

3393-0050 Screening compound: 11-(2-furyl)-10-hexanoyl-3-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3393-0050 Screening compound: 11-(2-furyl)-10-hexanoyl-3-(3-nitrophenyl)-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 3393-0050
11-(2-furyl)-10-hexanoyl-3-(3-nitrophenyl)-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

3393-0050

Molecular Formula

C29H29N3O5 (C29 H29 N3 O5)

Compound Name

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

IUPAC name

10-(furan-2-yl)-9-hexanoyl-14-(3-nitrophenyl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraen-12-one

SMILES

CCCCCC(N(C1c2ccco2)c(cccc2)c2NC(CC(C2)c3cccc([N+]([O-])=O)c3)=C1C2=O)=O

InChI

InChI=1S/C29H29N3O5/c1-2-3-4-14-27(34)31-24-12-6-5-11-22(24)30-23-17-20(19-9-7-10-21(16-19)32(35)36)18-25(33)28(23)29(31)26-13-8-15-37-26/h5-13,15-16,20,29-30H,2-4,14,17-18H2,1H3

InChI Key

CWKGLTMQAPCFIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01956725

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.141

Distribution Coefficient, logD

5.688

Water Solubility, LogSw

-5.28

Polar Surface Area

80.597

Acid Dissociation Constant (pKa)

7.14

Base Dissociation Constant (pKb)

-1.24

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.00

References: we are preparing a list of scientific research reports with 3393-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 3393-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3393-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3393-0050
  • 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 3393-0050 available by request