3406-0171 Screening compound: 17-(2,5-dichlorophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carboxylic acid

3406-0171 Screening compound: 17-(2,5-dichlorophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carboxylic acid
3406-0171 Screening compound: 17-(2,5-dichlorophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3406-0171
17-(2,5-dichlorophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carboxylic acid

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

3406-0171

Molecular Formula

C25H15Cl2NO4 (C25 H15 Cl2 NO4)

Compound Name

17-(2,5-dichlorophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carboxylic acid

IUPAC name

17-(25-dichlorophenyl)-1618-dioxo-17-azapentacyclo[6.6.5.0^{27}.0^{914}.0^{1519}]nonadeca-24691113-hexaene-1-carboxylic acid

SMILES

OC(C(C(C(C12)C(N3c(cc(cc4)Cl)c4Cl)=O)C3=O)(c3c2cccc3)c2c1cccc2)=O

InChI

InChI=1S/C25H15Cl2NO4/c26-12-9-10-17(27)18(11-12)28-22(29)20-19-13-5-1-3-7-15(13)25(24(31)32,21(20)23(28)30)16-8-4-2-6-14(16)19/h1-11,19-21H,(H,31,32)

InChI Key

LEPDSAHNOZDVCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01593985

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.894

Distribution Coefficient, logD

0.883

Water Solubility, LogSw

-4.14

Polar Surface Area

56.557

Acid Dissociation Constant (pKa)

4.39

Base Dissociation Constant (pKb)

-9.39

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

16.00

3406-0171 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3406-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3406-0171?
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What is the minimum amount of 3406-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3406-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3406-0171
  • 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 3406-0171 available by request