0114-0026 Screening compound: 4,11-di(tert-butyl)-17-(3-chlorophenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione

0114-0026 Screening compound: 4,11-di(tert-butyl)-17-(3-chlorophenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione
0114-0026 Screening compound: 4,11-di(tert-butyl)-17-(3-chlorophenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0114-0026
4,11-di(tert-butyl)-17-(3-chlorophenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione

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

0114-0026

Molecular Formula

C32H32ClNO2 (C32 H32 ClNO2)

Compound Name

4,11-di(tert-butyl)-17-(3-chlorophenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione

IUPAC name

411-di-tert-butyl-17-(3-chlorophenyl)-17-azapentacyclo[6.6.5.0^{27}.0^{914}.0^{1519}]nonadeca-2(7)359(14)1012-hexaene-1618-dione

SMILES

CC(C)(C)c1cc(C(C(C(C23)C(N4c5cccc(Cl)c5)=O)C4=O)c4c2cc(C(C)(C)C)cc4)c3cc1

InChI

InChI=1S/C32H32ClNO2/c1-31(2,3)17-10-12-21-23(14-17)25-22-13-11-18(32(4,5)6)15-24(22)26(21)28-27(25)29(35)34(30(28)36)20-9-7-8-19(33)16-20/h7-16,25-28H,1-6H3

InChI Key

BFZFCKFTAADMPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00982269

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.06

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.995

Distribution Coefficient, logD

7.995

Water Solubility, LogSw

-6.58

Polar Surface Area

28.449

Acid Dissociation Constant (pKa)

11.79

Base Dissociation Constant (pKb)

-8.18

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with 0114-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0114-0026?
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What is the minimum amount of 0114-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0114-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0114-0026
  • 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 0114-0026 available by request