5236-0286 Screening compound: 4-[11-(4-chlorophenyl)-1-oxo-3-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid

5236-0286 Screening compound: 4-[11-(4-chlorophenyl)-1-oxo-3-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
5236-0286 Screening compound: 4-[11-(4-chlorophenyl)-1-oxo-3-phenyl-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 5236-0286
4-[11-(4-chlorophenyl)-1-oxo-3-phenyl-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

5236-0286

Molecular Formula

C29H25ClN2O4 (C29 H25 ClN2 O4)

Compound Name

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

IUPAC name

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

SMILES

OC(CCC(N(C1c(cc2)ccc2Cl)c(cccc2)c2NC(CC(C2)c3ccccc3)=C1C2=O)=O)=O

InChI

InChI=1S/C29H25ClN2O4/c30-21-12-10-19(11-13-21)29-28-23(16-20(17-25(28)33)18-6-2-1-3-7-18)31-22-8-4-5-9-24(22)32(29)26(34)14-15-27(35)36/h1-13,20,29,31H,14-17H2,(H,35,36)

InChI Key

PGBGBHSTMPPZIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03299434

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.98

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.246

Distribution Coefficient, logD

2.296

Water Solubility, LogSw

-5.70

Polar Surface Area

67.021

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-1.76

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

20.70

5236-0286 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 5236-0286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5236-0286?
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What is the minimum amount of 5236-0286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5236-0286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5236-0286
  • 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 5236-0286 available by request