6028-2746 Screening compound: ethyl 4-({[10-phenyl-9-azatetracyclo[10.2.1.0~2,11~.0~3,8~]pentadeca-3(8),4,6-trien-5-yl]carbonyl}amino)benzoate

6028-2746 Screening compound: ethyl 4-({[10-phenyl-9-azatetracyclo[10.2.1.0~2,11~.0~3,8~]pentadeca-3(8),4,6-trien-5-yl]carbonyl}amino)benzoate
6028-2746 Screening compound: ethyl 4-({[10-phenyl-9-azatetracyclo[10.2.1.0~2,11~.0~3,8~]pentadeca-3(8),4,6-trien-5-yl]carbonyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6028-2746
ethyl 4-({[10-phenyl-9-azatetracyclo[10.2.1.0~2,11~.0~3,8~]pentadeca-3(8),4,6-trien-5-yl]carbonyl}amino)benzoate

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

6028-2746

Molecular Formula

C30H30N2O3 (C30 H30 N2 O3)

Compound Name

ethyl 4-({[10-phenyl-9-azatetracyclo[10.2.1.0~2,11~.0~3,8~]pentadeca-3(8),4,6-trien-5-yl]carbonyl}amino)benzoate

IUPAC name

ethyl 4-{10-phenyl-9-azatetracyclo[10.2.1.0^{211}.0^{38}]pentadeca-3(8)46-triene-5-amido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(c(cc1)cc(C2C3C4CC2CC4)c1NC3c1ccccc1)=O)=O

InChI

InChI=1S/C30H30N2O3/c1-2-35-30(34)19-10-13-23(14-11-19)31-29(33)22-12-15-25-24(17-22)26-20-8-9-21(16-20)27(26)28(32-25)18-6-4-3-5-7-18/h3-7,10-15,17,20-21,26-28,32H,2,8-9,16H2,1H3,(H,31,33)

InChI Key

UOMVYJAYYHWFEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05150139

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.687

Distribution Coefficient, logD

6.670

Water Solubility, LogSw

-5.77

Polar Surface Area

56.453

Acid Dissociation Constant (pKa)

8.78

Base Dissociation Constant (pKb)

1.39

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

33.30

6028-2746 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 6028-2746 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6028-2746?
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What is the minimum amount of 6028-2746 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6028-2746
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6028-2746
  • 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 6028-2746 available by request