2729-0786 Screening compound: ethyl 1-butyl-2-methyl-5-[(2-phenoxyacetyl)oxy]-1H-benzo[g]indole-3-carboxylate

2729-0786 Screening compound: ethyl 1-butyl-2-methyl-5-[(2-phenoxyacetyl)oxy]-1H-benzo[g]indole-3-carboxylate
2729-0786 Screening compound: ethyl 1-butyl-2-methyl-5-[(2-phenoxyacetyl)oxy]-1H-benzo[g]indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2729-0786
ethyl 1-butyl-2-methyl-5-[(2-phenoxyacetyl)oxy]-1H-benzo[g]indole-3-carboxylate

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

2729-0786

Molecular Formula

C28H29NO5 (C28 H29 NO5)

Compound Name

ethyl 1-butyl-2-methyl-5-[(2-phenoxyacetyl)oxy]-1H-benzo[g]indole-3-carboxylate

IUPAC name

ethyl 1-butyl-2-methyl-5-[(2-phenoxyacetyl)oxy]-1H-benzo[g]indole-3-carboxylate

SMILES

CCCCn1c(c2ccccc2c(OC(COc2ccccc2)=O)c2)c2c(C(OCC)=O)c1C

InChI

InChI=1S/C28H29NO5/c1-4-6-16-29-19(3)26(28(31)32-5-2)23-17-24(21-14-10-11-15-22(21)27(23)29)34-25(30)18-33-20-12-8-7-9-13-20/h7-15,17H,4-6,16,18H2,1-3H3

InChI Key

FGWUDOIJPYBDSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01959098

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.913

Distribution Coefficient, logD

5.913

Water Solubility, LogSw

-5.63

Polar Surface Area

49.316

Acid Dissociation Constant (pKa)

23.33

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

2729-0786 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 2729-0786 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2729-0786?
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What is the minimum amount of 2729-0786 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2729-0786
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2729-0786
  • 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 2729-0786 available by request