3176-5126 Screening compound: 11-(2-chlorophenyl)-3-(4-chlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

3176-5126 Screening compound: 11-(2-chlorophenyl)-3-(4-chlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3176-5126 Screening compound: 11-(2-chlorophenyl)-3-(4-chlorophenyl)-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 3176-5126
11-(2-chlorophenyl)-3-(4-chlorophenyl)-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

3176-5126

Molecular Formula

C25H20Cl2N2O (C25 H20 Cl2 N2 O)

Compound Name

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

IUPAC name

10-(2-chlorophenyl)-14-(4-chlorophenyl)-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)c1NC2c(cccc1)c1Cl

InChI

InChI=1S/C25H20Cl2N2O/c26-17-11-9-15(10-12-17)16-13-22-24(23(30)14-16)25(18-5-1-2-6-19(18)27)29-21-8-4-3-7-20(21)28-22/h1-12,16,25,28-29H,13-14H2

InChI Key

WPJSWEYGXJTELH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01874241

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.35

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

6.548

Distribution Coefficient, logD

6.536

Water Solubility, LogSw

-6.40

Polar Surface Area

36.477

Acid Dissociation Constant (pKa)

8.98

Base Dissociation Constant (pKb)

0.74

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

16.00

3176-5126 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 3176-5126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3176-5126?
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What is the minimum amount of 3176-5126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3176-5126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3176-5126
  • 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 3176-5126 available by request