3406-0158 Screening compound: 17-(4-iodophenyl)-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

3406-0158 Screening compound: 17-(4-iodophenyl)-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
3406-0158 Screening compound: 17-(4-iodophenyl)-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 3406-0158
17-(4-iodophenyl)-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

3406-0158

Molecular Formula

C25H16INO4 (C25 H16 INO4)

Compound Name

17-(4-iodophenyl)-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-(4-iodophenyl)-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(cc4)ccc4I)=O)C3=O)(c3c2cccc3)c2c1cccc2)=O

InChI

InChI=1S/C25H16INO4/c26-13-9-11-14(12-10-13)27-22(28)20-19-15-5-1-3-7-17(15)25(24(30)31,21(20)23(27)29)18-8-4-2-6-16(18)19/h1-12,19-21H,(H,30,31)

InChI Key

HVJHDECCEIKVMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01593971

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.31

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

3.979

Distribution Coefficient, logD

0.969

Water Solubility, LogSw

-4.22

Polar Surface Area

56.858

Acid Dissociation Constant (pKa)

4.39

Base Dissociation Constant (pKb)

-7.49

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

16.00

3406-0158 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3406-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3406-0158?
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What is the minimum amount of 3406-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3406-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3406-0158
  • 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 3406-0158 available by request