2729-0794 Screening compound: ethyl 1-butyl-5-(3-chlorobenzoyloxy)-2-methyl-1H-benzo[g]indole-3-carboxylate

2729-0794 Screening compound: ethyl 1-butyl-5-(3-chlorobenzoyloxy)-2-methyl-1H-benzo[g]indole-3-carboxylate
2729-0794 Screening compound: ethyl 1-butyl-5-(3-chlorobenzoyloxy)-2-methyl-1H-benzo[g]indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2729-0794
ethyl 1-butyl-5-(3-chlorobenzoyloxy)-2-methyl-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

2729-0794

Molecular Formula

C27H26ClNO4 (C27 H26 ClNO4)

Compound Name

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

IUPAC name

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

SMILES

CCCCn1c(c2ccccc2c(OC(c2cccc(Cl)c2)=O)c2)c2c(C(OCC)=O)c1C

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.96

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.859

Distribution Coefficient, logD

6.859

Water Solubility, LogSw

-6.39

Polar Surface Area

42.411

Acid Dissociation Constant (pKa)

26.34

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

2729-0794 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 2729-0794 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2729-0794?
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What is the minimum amount of 2729-0794 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2729-0794
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2729-0794
  • 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 2729-0794 available by request