0114-0085 Screening compound: 17-(3,4-dichlorophenyl)-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

0114-0085 Screening compound: 17-(3,4-dichlorophenyl)-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
0114-0085 Screening compound: 17-(3,4-dichlorophenyl)-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 0114-0085
17-(3,4-dichlorophenyl)-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

0114-0085

Molecular Formula

C24H15Cl2NO2 (C24 H15 Cl2 NO2)

Compound Name

17-(3,4-dichlorophenyl)-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

17-(34-dichlorophenyl)-17-azapentacyclo[6.6.5.0^{27}.0^{914}.0^{1519}]nonadeca-2(7)359(14)1012-hexaene-1618-dione

SMILES

O=C(C(C(C1c2c3cccc2)C2=O)C3c3c1cccc3)N2c(cc1)cc(Cl)c1Cl

InChI

InChI=1S/C24H15Cl2NO2/c25-17-10-9-12(11-18(17)26)27-23(28)21-19-13-5-1-2-6-14(13)20(22(21)24(27)29)16-8-4-3-7-15(16)19/h1-11,19-22H

InChI Key

FVDORDOEAJRSRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00219333

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.926

Distribution Coefficient, logD

4.926

Water Solubility, LogSw

-5.15

Polar Surface Area

28.449

Acid Dissociation Constant (pKa)

11.79

Base Dissociation Constant (pKb)

-8.92

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

16.70

0114-0085 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 0114-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0114-0085?
Check Price and Availability of 0114-0085, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0114-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0114-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0114-0085
  • 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 0114-0085 available by request