3170-5214 Screening compound: 11-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

3170-5214 Screening compound: 11-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3170-5214 Screening compound: 11-(4-hydroxy-3,5-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 3170-5214
11-(4-hydroxy-3,5-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

3170-5214

Molecular Formula

C28H28N2O5 (C28 H28 N2 O5)

Compound Name

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

IUPAC name

10-(4-hydroxy-35-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(cc4OC)cc(OC)c4O)=C3C2=O)cc1

InChI

InChI=1S/C28H28N2O5/c1-33-19-10-8-16(9-11-19)17-12-22-26(23(31)13-17)27(30-21-7-5-4-6-20(21)29-22)18-14-24(34-2)28(32)25(15-18)35-3/h4-11,14-15,17,27,29-30,32H,12-13H2,1-3H3

InChI Key

OJMWFVLFGLBCOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01874745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.391

Distribution Coefficient, logD

4.375

Water Solubility, LogSw

-4.31

Polar Surface Area

74.760

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

10.15

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 3170-5214 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3170-5214?
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What is the minimum amount of 3170-5214 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3170-5214
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3170-5214
  • 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 3170-5214 available by request