8004-5520 Screening compound: N~1~-(4-ethylphenyl)-2-(2-{(E)-1-[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-hexaen-1-yl]methylidene}hydrazino)-2-oxoacetamide

8004-5520 Screening compound: N~1~-(4-ethylphenyl)-2-(2-{(E)-1-[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-hexaen-1-yl]methylidene}hydrazino)-2-oxoacetamide
8004-5520 Screening compound: N~1~-(4-ethylphenyl)-2-(2-{(E)-1-[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-hexaen-1-yl]methylidene}hydrazino)-2-oxoacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-5520
N~1~-(4-ethylphenyl)-2-(2-{(E)-1-[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-hexaen-1-yl]methylidene}hydrazino)-2-oxoacetamide

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

8004-5520

Molecular Formula

C36H30N4O4 (C36 H30 N4 O4)

Compound Name

N~1~-(4-ethylphenyl)-2-(2-{(E)-1-[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-hexaen-1-yl]methylidene}hydrazino)-2-oxoacetamide

IUPAC name

N-(4-ethylphenyl)-1-{N'-[(E)-[17-(4-methylphenyl)-1618-dioxo-17-azapentacyclo[6.6.5.0^{27}.0^{914}.0^{1519}]nonadeca-24691113-hexaen-1-yl]methylidene]hydrazinecarbonyl}formamide

SMILES

CCc(cc1)ccc1NC(C(N/N=C/C(C(C(C12)C(N3c4ccc(C)cc4)=O)C3=O)(c3c2cccc3)c2c1cccc2)=O)=O

InChI

InChI=1S/C36H30N4O4/c1-3-22-14-16-23(17-15-22)38-32(41)33(42)39-37-20-36-27-10-6-4-8-25(27)29(26-9-5-7-11-28(26)36)30-31(36)35(44)40(34(30)43)24-18-12-21(2)13-19-24/h4-20,29-31H,3H2,1-2H3,(H,38,41)(H,39,42)

InChI Key

IQMSAXHIJRGFCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00739460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

582.66

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.642

Distribution Coefficient, logD

5.456

Water Solubility, LogSw

-5.54

Polar Surface Area

87.128

Acid Dissociation Constant (pKa)

7.67

Base Dissociation Constant (pKb)

2.97

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

19.40

References: we are preparing a list of scientific research reports with 8004-5520 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-5520
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-5520
  • 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 8004-5520 available by request