3170-5207 Screening compound: 11-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

3170-5207 Screening compound: 11-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3170-5207 Screening compound: 11-(1,3-benzodioxol-5-yl)-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 3170-5207
11-(1,3-benzodioxol-5-yl)-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

3170-5207

Molecular Formula

C26H21ClN2O3 (C26 H21 ClN2 O3)

Compound Name

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

IUPAC name

10-(2H-13-benzodioxol-5-yl)-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(cc1)cc2c1OCO2

InChI

InChI=1S/C26H21ClN2O3/c27-18-8-5-15(6-9-18)17-11-21-25(22(30)12-17)26(29-20-4-2-1-3-19(20)28-21)16-7-10-23-24(13-16)32-14-31-23/h1-10,13,17,26,28-29H,11-12,14H2

InChI Key

LBSCKXDYZKHMGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01872165

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.92

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.931

Distribution Coefficient, logD

5.915

Water Solubility, LogSw

-6.50

Polar Surface Area

53.592

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

2.48

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with 3170-5207 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3170-5207?
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What is the minimum amount of 3170-5207 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3170-5207
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3170-5207
  • 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 3170-5207 available by request