2729-0859 Screening compound: 3-acetyl-1-benzyl-2-methyl-1H-indol-5-yl 2-(acetyloxy)benzoate

2729-0859 Screening compound: 3-acetyl-1-benzyl-2-methyl-1H-indol-5-yl 2-(acetyloxy)benzoate
2729-0859 Screening compound: 3-acetyl-1-benzyl-2-methyl-1H-indol-5-yl 2-(acetyloxy)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2729-0859
3-acetyl-1-benzyl-2-methyl-1H-indol-5-yl 2-(acetyloxy)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

2729-0859

Molecular Formula

C27H23NO5 (C27 H23 NO5)

Compound Name

3-acetyl-1-benzyl-2-methyl-1H-indol-5-yl 2-(acetyloxy)benzoate

IUPAC name

3-acetyl-1-benzyl-2-methyl-1H-indol-5-yl 2-(acetyloxy)benzoate

SMILES

CC(c1c(C)n(Cc2ccccc2)c(cc2)c1cc2OC(c(cccc1)c1OC(C)=O)=O)=O

InChI

InChI=1S/C27H23NO5/c1-17-26(18(2)29)23-15-21(13-14-24(23)28(17)16-20-9-5-4-6-10-20)33-27(31)22-11-7-8-12-25(22)32-19(3)30/h4-15H,16H2,1-3H3

InChI Key

KNCJJOZBUVDEBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01942717

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.890

Distribution Coefficient, logD

4.890

Water Solubility, LogSw

-4.91

Polar Surface Area

56.481

Acid Dissociation Constant (pKa)

21.32

Base Dissociation Constant (pKb)

-3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

2729-0859 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2729-0859 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2729-0859?
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What is the minimum amount of 2729-0859 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2729-0859
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2729-0859
  • 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 2729-0859 available by request