8004-4144 Screening compound: 17-(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-carbaldehyde

8004-4144 Screening compound: 17-(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-carbaldehyde
8004-4144 Screening compound: 17-(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-carbaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-4144
17-(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-carbaldehyde

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

8004-4144

Molecular Formula

C26H19NO3 (C26 H19 NO3)

Compound Name

17-(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-carbaldehyde

IUPAC name

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

SMILES

Cc(cc1)ccc1N(C(C(C1C2(C=O)c3c4cccc3)C4c3c2cccc3)=O)C1=O

InChI

InChI=1S/C26H19NO3/c1-15-10-12-16(13-11-15)27-24(29)22-21-17-6-2-4-8-19(17)26(14-28,23(22)25(27)30)20-9-5-3-7-18(20)21/h2-14,21-23H,1H3

InChI Key

WHRVFWDCBCUYOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00577898

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.610

Distribution Coefficient, logD

3.610

Water Solubility, LogSw

-3.65

Polar Surface Area

42.609

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

-6.71

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

19.20

8004-4144 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8004-4144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-4144?
Check Price and Availability of 8004-4144, 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 8004-4144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-4144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-4144
  • 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 8004-4144 available by request