5236-0379 Screening compound: 10-benzoyl-11-[4-(tert-butyl)phenyl]-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

5236-0379 Screening compound: 10-benzoyl-11-[4-(tert-butyl)phenyl]-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
5236-0379 Screening compound: 10-benzoyl-11-[4-(tert-butyl)phenyl]-3,3-dimethyl-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 5236-0379
10-benzoyl-11-[4-(tert-butyl)phenyl]-3,3-dimethyl-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

5236-0379

Molecular Formula

C32H34N2O2 (C32 H34 N2 O2)

Compound Name

10-benzoyl-11-[4-(tert-butyl)phenyl]-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

IUPAC name

9-benzoyl-10-(4-tert-butylphenyl)-1414-dimethyl-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

CC(C)(C)c1ccc(C2N(C(c3ccccc3)=O)c(cccc3)c3NC(CC(C)(C)C3)=C2C3=O)cc1

InChI

InChI=1S/C32H34N2O2/c1-31(2,3)23-17-15-21(16-18-23)29-28-25(19-32(4,5)20-27(28)35)33-24-13-9-10-14-26(24)34(29)30(36)22-11-7-6-8-12-22/h6-18,29,33H,19-20H2,1-5H3/t29-/m0/s1

InChI Key

RXFLDBXPNIBOAW-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD03194917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.63

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

7.165

Distribution Coefficient, logD

7.137

Water Solubility, LogSw

-5.83

Polar Surface Area

39.165

Acid Dissociation Constant (pKa)

8.59

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

5236-0379 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 5236-0379 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5236-0379?
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What is the minimum amount of 5236-0379 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5236-0379
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5236-0379
  • 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 5236-0379 available by request