3406-0166 Screening compound: 17-(3-chloro-4-methylphenyl)-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

3406-0166 Screening compound: 17-(3-chloro-4-methylphenyl)-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
3406-0166 Screening compound: 17-(3-chloro-4-methylphenyl)-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 3406-0166
17-(3-chloro-4-methylphenyl)-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

3406-0166

Molecular Formula

C26H18ClNO4 (C26 H18 ClNO4)

Compound Name

17-(3-chloro-4-methylphenyl)-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-(3-chloro-4-methylphenyl)-1618-dioxo-17-azapentacyclo[6.6.5.0^{27}.0^{914}.0^{1519}]nonadeca-24691113-hexaene-1-carboxylic acid

SMILES

Cc(ccc(N(C(C(C1C2(C(O)=O)c3c4cccc3)C4c3c2cccc3)=O)C1=O)c1)c1Cl

InChI

InChI=1S/C26H18ClNO4/c1-13-10-11-14(12-19(13)27)28-23(29)21-20-15-6-2-4-8-17(15)26(25(31)32,22(21)24(28)30)18-9-5-3-7-16(18)20/h2-12,20-22H,1H3,(H,31,32)

InChI Key

UJOJTQVCNZSCFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01593979

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.89

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

4.023

Distribution Coefficient, logD

1.013

Water Solubility, LogSw

-4.26

Polar Surface Area

56.858

Acid Dissociation Constant (pKa)

4.39

Base Dissociation Constant (pKb)

-7.06

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with 3406-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3406-0166?
Check Price and Availability of 3406-0166, 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 3406-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3406-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3406-0166
  • 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 3406-0166 available by request