2729-0781 Screening compound: ethyl 5-(butanoyloxy)-1-butyl-2-methyl-1H-benzo[g]indole-3-carboxylate

2729-0781 Screening compound: ethyl 5-(butanoyloxy)-1-butyl-2-methyl-1H-benzo[g]indole-3-carboxylate
2729-0781 Screening compound: ethyl 5-(butanoyloxy)-1-butyl-2-methyl-1H-benzo[g]indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2729-0781
ethyl 5-(butanoyloxy)-1-butyl-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

2729-0781

Molecular Formula

C24H29NO4 (C24 H29 NO4)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C24H29NO4/c1-5-8-14-25-16(4)22(24(27)28-7-3)19-15-20(29-21(26)11-6-2)17-12-9-10-13-18(17)23(19)25/h9-10,12-13,15H,5-8,11,14H2,1-4H3

InChI Key

QEPSQQFPKZZAGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01959101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.819

Distribution Coefficient, logD

5.819

Water Solubility, LogSw

-5.65

Polar Surface Area

42.088

Acid Dissociation Constant (pKa)

22.55

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

2729-0781 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 2729-0781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2729-0781?
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What is the minimum amount of 2729-0781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2729-0781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2729-0781
  • 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 2729-0781 available by request