8003-0812 Screening compound: 17-(4-ethoxyphenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaene-1-carbaldehyde

8003-0812 Screening compound: 17-(4-ethoxyphenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaene-1-carbaldehyde
8003-0812 Screening compound: 17-(4-ethoxyphenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaene-1-carbaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-0812
17-(4-ethoxyphenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-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

8003-0812

Molecular Formula

C27H21NO4 (C27 H21 NO4)

Compound Name

17-(4-ethoxyphenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaene-1-carbaldehyde

IUPAC name

17-(4-ethoxyphenyl)-1618-dioxo-17-azapentacyclo[6.6.5.0^{27}.0^{914}.0^{1519}]nonadeca-2(7)359(14)1012-hexaene-1-carbaldehyde

SMILES

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

InChI

InChI=1S/C27H21NO4/c1-2-32-17-13-11-16(12-14-17)28-25(30)23-22-18-7-3-5-9-20(18)27(15-29,24(23)26(28)31)21-10-6-4-8-19(21)22/h3-15,22-24H,2H2,1H3

InChI Key

WHFLQDAWCUJGRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00577903

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.556

Distribution Coefficient, logD

3.556

Water Solubility, LogSw

-3.64

Polar Surface Area

49.732

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

-6.68

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.22

8003-0812 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8003-0812 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-0812?
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What is the minimum amount of 8003-0812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-0812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-0812
  • 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 8003-0812 available by request