3046-8900 Screening compound: 11-(3,4-dimethoxyphenyl)-3-(2-furyl)-10-hexanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

3046-8900 Screening compound: 11-(3,4-dimethoxyphenyl)-3-(2-furyl)-10-hexanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3046-8900 Screening compound: 11-(3,4-dimethoxyphenyl)-3-(2-furyl)-10-hexanoyl-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 3046-8900
11-(3,4-dimethoxyphenyl)-3-(2-furyl)-10-hexanoyl-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

3046-8900

Molecular Formula

C31H34N2O5 (C31 H34 N2 O5)

Compound Name

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

IUPAC name

10-(34-dimethoxyphenyl)-14-(furan-2-yl)-9-hexanoyl-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

CCCCCC(N(C1c(cc2)cc(OC)c2OC)c(cccc2)c2NC(CC(C2)c3ccco3)=C1C2=O)=O

InChI

InChI=1S/C31H34N2O5/c1-4-5-6-13-29(35)33-24-11-8-7-10-22(24)32-23-17-21(26-12-9-16-38-26)18-25(34)30(23)31(33)20-14-15-27(36-2)28(19-20)37-3/h7-12,14-16,19,21,31-32H,4-6,13,17-18H2,1-3H3

InChI Key

WDGYXGDEIGGBHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01955739

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.014

Distribution Coefficient, logD

5.760

Water Solubility, LogSw

-5.29

Polar Surface Area

62.476

Acid Dissociation Constant (pKa)

7.50

Base Dissociation Constant (pKb)

-1.77

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.50

References: we are preparing a list of scientific research reports with 3046-8900 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3046-8900?
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What is the minimum amount of 3046-8900 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3046-8900
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3046-8900
  • 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 3046-8900 available by request