3028-4952 Screening compound: 11-(2-isopropoxyphenyl)-3-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

3028-4952 Screening compound: 11-(2-isopropoxyphenyl)-3-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3028-4952 Screening compound: 11-(2-isopropoxyphenyl)-3-(4-methoxyphenyl)-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 3028-4952
11-(2-isopropoxyphenyl)-3-(4-methoxyphenyl)-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

3028-4952

Molecular Formula

C29H30N2O3 (C29 H30 N2 O3)

Compound Name

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

IUPAC name

14-(4-methoxyphenyl)-10-[2-(propan-2-yloxy)phenyl]-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraen-12-one

SMILES

CC(C)Oc1c(C2Nc(cccc3)c3NC(CC(C3)c(cc4)ccc4OC)=C2C3=O)cccc1

InChI

InChI=1S/C29H30N2O3/c1-18(2)34-27-11-7-4-8-22(27)29-28-25(30-23-9-5-6-10-24(23)31-29)16-20(17-26(28)32)19-12-14-21(33-3)15-13-19/h4-15,18,20,29-31H,16-17H2,1-3H3

InChI Key

HVAVXJBBVSTSPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01825106

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.055

Distribution Coefficient, logD

6.039

Water Solubility, LogSw

-5.59

Polar Surface Area

50.910

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

1.15

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.60

3028-4952 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 3028-4952 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3028-4952?
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What is the minimum amount of 3028-4952 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3028-4952
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3028-4952
  • 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 3028-4952 available by request