5236-0301 Screening compound: 4-[3-(3,4-dimethoxyphenyl)-11-(4-methylphenyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid

5236-0301 Screening compound: 4-[3-(3,4-dimethoxyphenyl)-11-(4-methylphenyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
5236-0301 Screening compound: 4-[3-(3,4-dimethoxyphenyl)-11-(4-methylphenyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5236-0301
4-[3-(3,4-dimethoxyphenyl)-11-(4-methylphenyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid

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

5236-0301

Molecular Formula

C32H32N2O6 (C32 H32 N2 O6)

Compound Name

4-[3-(3,4-dimethoxyphenyl)-11-(4-methylphenyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid

IUPAC name

4-[14-(34-dimethoxyphenyl)-10-(4-methylphenyl)-12-oxo-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-9-yl]-4-oxobutanoic acid

SMILES

Cc1ccc(C2N(C(CCC(O)=O)=O)c(cccc3)c3NC(CC(C3)c(cc4)cc(OC)c4OC)=C2C3=O)cc1

InChI

InChI=1S/C32H32N2O6/c1-19-8-10-20(11-9-19)32-31-24(16-22(17-26(31)35)21-12-13-27(39-2)28(18-21)40-3)33-23-6-4-5-7-25(23)34(32)29(36)14-15-30(37)38/h4-13,18,22,32-33H,14-17H2,1-3H3,(H,37,38)

InChI Key

UURCXJWCKYCGQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03289215

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.567

Distribution Coefficient, logD

1.617

Water Solubility, LogSw

-4.28

Polar Surface Area

82.282

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-1.76

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.10

5236-0301 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 5236-0301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5236-0301?
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What is the minimum amount of 5236-0301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5236-0301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5236-0301
  • 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 5236-0301 available by request