5236-0237 Screening compound: 3-(4-chlorophenyl)-11-(4-methoxyphenyl)-10-propionyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

5236-0237 Screening compound: 3-(4-chlorophenyl)-11-(4-methoxyphenyl)-10-propionyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
5236-0237 Screening compound: 3-(4-chlorophenyl)-11-(4-methoxyphenyl)-10-propionyl-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 5236-0237
3-(4-chlorophenyl)-11-(4-methoxyphenyl)-10-propionyl-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

5236-0237

Molecular Formula

C29H27ClN2O3 (C29 H27 ClN2 O3)

Compound Name

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

IUPAC name

14-(4-chlorophenyl)-10-(4-methoxyphenyl)-9-propanoyl-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

CCC(N(C1c(cc2)ccc2OC)c(cccc2)c2NC(CC(C2)c(cc3)ccc3Cl)=C1C2=O)=O

InChI

InChI=1S/C29H27ClN2O3/c1-3-27(34)32-25-7-5-4-6-23(25)31-24-16-20(18-8-12-21(30)13-9-18)17-26(33)28(24)29(32)19-10-14-22(35-2)15-11-19/h4-15,20,29,31H,3,16-17H2,1-2H3

InChI Key

SOXDKTRJTYBWJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03488686

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.351

Distribution Coefficient, logD

6.031

Water Solubility, LogSw

-6.39

Polar Surface Area

46.181

Acid Dissociation Constant (pKa)

7.36

Base Dissociation Constant (pKb)

-1.76

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

24.10

5236-0237 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 5236-0237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5236-0237?
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What is the minimum amount of 5236-0237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5236-0237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5236-0237
  • 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 5236-0237 available by request