3046-8892 Screening compound: 11-[4-(diethylamino)phenyl]-3-(2-furyl)-10-propionyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

3046-8892 Screening compound: 11-[4-(diethylamino)phenyl]-3-(2-furyl)-10-propionyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3046-8892 Screening compound: 11-[4-(diethylamino)phenyl]-3-(2-furyl)-10-propionyl-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 3046-8892
11-[4-(diethylamino)phenyl]-3-(2-furyl)-10-propionyl-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

3046-8892

Molecular Formula

C30H33N3O3 (C30 H33 N3 O3)

Compound Name

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

IUPAC name

10-[4-(diethylamino)phenyl]-14-(furan-2-yl)-9-propanoyl-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

CCC(N(C1c(cc2)ccc2N(CC)CC)c(cccc2)c2NC(CC(C2)c3ccco3)=C1C2=O)=O

InChI

InChI=1S/C30H33N3O3/c1-4-28(35)33-25-11-8-7-10-23(25)31-24-18-21(27-12-9-17-36-27)19-26(34)29(24)30(33)20-13-15-22(16-14-20)32(5-2)6-3/h7-17,21,30-31H,4-6,18-19H2,1-3H3

InChI Key

BQSXGDPSOUSNLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01960535

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.702

Distribution Coefficient, logD

5.159

Water Solubility, LogSw

-5.50

Polar Surface Area

49.952

Acid Dissociation Constant (pKa)

7.50

Base Dissociation Constant (pKb)

9.48

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

3046-8892 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 3046-8892 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 3046-8892 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3046-8892
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3046-8892
  • 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 3046-8892 available by request