3705-5807 Screening compound: 11-(4-bromo-2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

3705-5807 Screening compound: 11-(4-bromo-2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3705-5807 Screening compound: 11-(4-bromo-2,5-dimethoxyphenyl)-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 3705-5807
11-(4-bromo-2,5-dimethoxyphenyl)-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

3705-5807

Molecular Formula

C28H27BrN2O4 (C28 H27 BrN2 O4)

Compound Name

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

IUPAC name

10-(4-bromo-25-dimethoxyphenyl)-14-(4-methoxyphenyl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraen-12-one

SMILES

COc1ccc(C(C2)CC(Nc(cccc3)c3NC3c(c(OC)c4)cc(OC)c4Br)=C3C2=O)cc1

InChI

InChI=1S/C28H27BrN2O4/c1-33-18-10-8-16(9-11-18)17-12-23-27(24(32)13-17)28(31-22-7-5-4-6-21(22)30-23)19-14-26(35-3)20(29)15-25(19)34-2/h4-11,14-15,17,28,30-31H,12-13H2,1-3H3

InChI Key

LSMDKTCGZNSBQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02104972

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.870

Distribution Coefficient, logD

5.854

Water Solubility, LogSw

-5.54

Polar Surface Area

59.281

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

2.30

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

3705-5807 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3705-5807 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3705-5807?
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What is the minimum amount of 3705-5807 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3705-5807
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3705-5807
  • 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 3705-5807 available by request