8012-4711 Screening compound: 11-(2-chlorophenyl)-3-(4-chlorophenyl)-10-(2,2,2-trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

8012-4711 Screening compound: 11-(2-chlorophenyl)-3-(4-chlorophenyl)-10-(2,2,2-trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
8012-4711 Screening compound: 11-(2-chlorophenyl)-3-(4-chlorophenyl)-10-(2,2,2-trifluoroacetyl)-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 8012-4711
11-(2-chlorophenyl)-3-(4-chlorophenyl)-10-(2,2,2-trifluoroacetyl)-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

8012-4711

Molecular Formula

C27H19Cl2F3N2O2 (C27 H19 Cl2 F3 N2 O2)

Compound Name

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

IUPAC name

10-(2-chlorophenyl)-14-(4-chlorophenyl)-9-(222-trifluoroacetyl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

O=C(C(F)(F)F)N(C1c(cccc2)c2Cl)c(cccc2)c2NC(CC(C2)c(cc3)ccc3Cl)=C1C2=O

InChI

InChI=1S/C27H19Cl2F3N2O2/c28-17-11-9-15(10-12-17)16-13-21-24(23(35)14-16)25(18-5-1-2-6-19(18)29)34(26(36)27(30,31)32)22-8-4-3-7-20(22)33-21/h1-12,16,25,33H,13-14H2

InChI Key

IDXCCYAGSIZIIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02375493

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.154

Distribution Coefficient, logD

6.911

Water Solubility, LogSw

-6.55

Polar Surface Area

39.165

Acid Dissociation Constant (pKa)

7.53

Base Dissociation Constant (pKb)

-3.48

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with 8012-4711 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-4711
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-4711
  • 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 8012-4711 available by request