5236-0256 Screening compound: 4-[3-(4-chlorophenyl)-11-(3-methoxyphenyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid

5236-0256 Screening compound: 4-[3-(4-chlorophenyl)-11-(3-methoxyphenyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
5236-0256 Screening compound: 4-[3-(4-chlorophenyl)-11-(3-methoxyphenyl)-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 5236-0256
4-[3-(4-chlorophenyl)-11-(3-methoxyphenyl)-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

5236-0256

Molecular Formula

C30H27ClN2O5 (C30 H27 ClN2 O5)

Compound Name

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

SMILES

COc1cccc(C2N(C(CCC(O)=O)=O)c(cccc3)c3NC(CC(C3)c(cc4)ccc4Cl)=C2C3=O)c1

InChI

InChI=1S/C30H27ClN2O5/c1-38-22-6-4-5-19(15-22)30-29-24(16-20(17-26(29)34)18-9-11-21(31)12-10-18)32-23-7-2-3-8-25(23)33(30)27(35)13-14-28(36)37/h2-12,15,20,30,32H,13-14,16-17H2,1H3,(H,36,37)

InChI Key

JPVCAUACVPTXQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03488703

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.01

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.262

Distribution Coefficient, logD

2.312

Water Solubility, LogSw

-5.69

Polar Surface Area

74.565

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.30

5236-0256 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 5236-0256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5236-0256?
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What is the minimum amount of 5236-0256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5236-0256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5236-0256
  • 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 5236-0256 available by request