2716-4376 Screening compound: 3-(4-chlorophenyl)-11-(2-thienyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

2716-4376 Screening compound: 3-(4-chlorophenyl)-11-(2-thienyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
2716-4376 Screening compound: 3-(4-chlorophenyl)-11-(2-thienyl)-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 2716-4376
3-(4-chlorophenyl)-11-(2-thienyl)-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

2716-4376

Molecular Formula

C23H19ClN2OS (C23 H19 ClN2 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(CC(C1)c(cc2)ccc2Cl)C2=C1Nc(cccc1)c1NC2c1cccs1

InChI

InChI=1S/C23H19ClN2OS/c24-16-9-7-14(8-10-16)15-12-19-22(20(27)13-15)23(21-6-3-11-28-21)26-18-5-2-1-4-17(18)25-19/h1-11,15,23,25-26H,12-13H2

InChI Key

GNRKNYDJNQQOEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01814402

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.94

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.595

Distribution Coefficient, logD

5.567

Water Solubility, LogSw

-6.25

Polar Surface Area

37.495

Acid Dissociation Constant (pKa)

8.59

Base Dissociation Constant (pKb)

1.48

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

17.40

2716-4376 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 2716-4376 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2716-4376?
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What is the minimum amount of 2716-4376 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2716-4376
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2716-4376
  • 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 2716-4376 available by request