2729-0783 Screening compound: ethyl 1-butyl-2-methyl-5-(pentanoyloxy)-1H-benzo[g]indole-3-carboxylate

2729-0783 Screening compound: ethyl 1-butyl-2-methyl-5-(pentanoyloxy)-1H-benzo[g]indole-3-carboxylate
2729-0783 Screening compound: ethyl 1-butyl-2-methyl-5-(pentanoyloxy)-1H-benzo[g]indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2729-0783
ethyl 1-butyl-2-methyl-5-(pentanoyloxy)-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

2729-0783

Molecular Formula

C25H31NO4 (C25 H31 NO4)

Compound Name

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

IUPAC name

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

SMILES

CCCCC(Oc(c1ccccc11)cc2c1n(CCCC)c(C)c2C(OCC)=O)=O

InChI

InChI=1S/C25H31NO4/c1-5-8-14-22(27)30-21-16-20-23(25(28)29-7-3)17(4)26(15-9-6-2)24(20)19-13-11-10-12-18(19)21/h10-13,16H,5-9,14-15H2,1-4H3

InChI Key

QZXPYAFYWRJFRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01944857

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.186

Distribution Coefficient, logD

6.186

Water Solubility, LogSw

-5.62

Polar Surface Area

42.088

Acid Dissociation Constant (pKa)

22.27

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

References: we are preparing a list of scientific research reports with 2729-0783 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2729-0783?
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What is the minimum amount of 2729-0783 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2729-0783
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2729-0783
  • 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 2729-0783 available by request