3192-5315 Screening compound: 3-(3,4-dimethoxyphenyl)-11-(4-hydroxy-3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

3192-5315 Screening compound: 3-(3,4-dimethoxyphenyl)-11-(4-hydroxy-3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3192-5315 Screening compound: 3-(3,4-dimethoxyphenyl)-11-(4-hydroxy-3-nitrophenyl)-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 3192-5315
3-(3,4-dimethoxyphenyl)-11-(4-hydroxy-3-nitrophenyl)-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

3192-5315

Molecular Formula

C27H25N3O6 (C27 H25 N3 O6)

Compound Name

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

IUPAC name

14-(34-dimethoxyphenyl)-10-(4-hydroxy-3-nitrophenyl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraen-12-one

SMILES

COc(ccc(C(C1)CC(Nc(cccc2)c2NC2c(cc3)cc([N+]([O-])=O)c3O)=C2C1=O)c1)c1OC

InChI

InChI=1S/C27H25N3O6/c1-35-24-10-8-15(14-25(24)36-2)17-11-20-26(23(32)13-17)27(29-19-6-4-3-5-18(19)28-20)16-7-9-22(31)21(12-16)30(33)34/h3-10,12,14,17,27-29,31H,11,13H2,1-2H3

InChI Key

AWXFXQWURIPOFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01874823

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.738

Distribution Coefficient, logD

4.176

Water Solubility, LogSw

-4.34

Polar Surface Area

101.366

Acid Dissociation Constant (pKa)

6.98

Base Dissociation Constant (pKb)

0.79

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.20

3192-5315 in Drug Discovery

Included in Screening Libraries

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 3192-5315 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3192-5315?
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What is the minimum amount of 3192-5315 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3192-5315
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3192-5315
  • 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 3192-5315 available by request