8011-3381 Screening compound: 11-(2,5-difluorophenyl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

8011-3381 Screening compound: 11-(2,5-difluorophenyl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
8011-3381 Screening compound: 11-(2,5-difluorophenyl)-3,3,7,8-tetramethyl-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 8011-3381
11-(2,5-difluorophenyl)-3,3,7,8-tetramethyl-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

8011-3381

Molecular Formula

C23H24F2N2O (C23 H24 F2 N2 O)

Compound Name

11-(2,5-difluorophenyl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

IUPAC name

10-(25-difluorophenyl)-561414-tetramethyl-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraen-12-one

SMILES

CC(C)(C1)CC(Nc(cc(C)c(C)c2)c2NC2c(cc(cc3)F)c3F)=C2C1=O

InChI

InChI=1S/C23H24F2N2O/c1-12-7-17-18(8-13(12)2)27-22(15-9-14(24)5-6-16(15)25)21-19(26-17)10-23(3,4)11-20(21)28/h5-9,22,26-27H,10-11H2,1-4H3/t22-/m0/s1

InChI Key

KFMBBZVSPQVZTI-QFIPXVFZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.45

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.339

Distribution Coefficient, logD

5.333

Water Solubility, LogSw

-5.34

Polar Surface Area

36.748

Acid Dissociation Constant (pKa)

9.23

Base Dissociation Constant (pKb)

1.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

References: we are preparing a list of scientific research reports with 8011-3381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-3381?
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What is the minimum amount of 8011-3381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-3381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-3381
  • 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 8011-3381 available by request