2716-4369 Screening compound: 3-(4-chlorophenyl)-11-(2-ethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

2716-4369 Screening compound: 3-(4-chlorophenyl)-11-(2-ethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
2716-4369 Screening compound: 3-(4-chlorophenyl)-11-(2-ethoxyphenyl)-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 2716-4369
3-(4-chlorophenyl)-11-(2-ethoxyphenyl)-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

2716-4369

Molecular Formula

C27H25ClN2O2 (C27 H25 ClN2 O2)

Compound Name

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

IUPAC name

14-(4-chlorophenyl)-10-(2-ethoxyphenyl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraen-12-one

SMILES

CCOc1c(C2Nc(cccc3)c3NC(CC(C3)c(cc4)ccc4Cl)=C2C3=O)cccc1

InChI

InChI=1S/C27H25ClN2O2/c1-2-32-25-10-6-3-7-20(25)27-26-23(29-21-8-4-5-9-22(21)30-27)15-18(16-24(26)31)17-11-13-19(28)14-12-17/h3-14,18,27,29-30H,2,15-16H2,1H3

InChI Key

AHURIOZKCVUFMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01814395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.96

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.513

Distribution Coefficient, logD

6.496

Water Solubility, LogSw

-6.50

Polar Surface Area

43.687

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

8.26

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.20

2716-4369 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 2716-4369 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 2716-4369 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2716-4369
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2716-4369
  • 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 2716-4369 available by request