2729-0864 Screening compound: 3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl 2-(acetyloxy)benzoate

2729-0864 Screening compound: 3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl 2-(acetyloxy)benzoate
2729-0864 Screening compound: 3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl 2-(acetyloxy)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2729-0864
3-acetyl-1-(4-methoxyphenyl)-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

2729-0864

Molecular Formula

C27H23NO6 (C27 H23 NO6)

Compound Name

3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl 2-(acetyloxy)benzoate

IUPAC name

3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl 2-(acetyloxy)benzoate

SMILES

CC(c(c1c2ccc(OC(c(cccc3)c3OC(C)=O)=O)c1)c(C)n2-c(cc1)ccc1OC)=O

InChI

InChI=1S/C27H23NO6/c1-16-26(17(2)29)23-15-21(34-27(31)22-7-5-6-8-25(22)33-18(3)30)13-14-24(23)28(16)19-9-11-20(32-4)12-10-19/h5-15H,1-4H3

InChI Key

TYECUQGRYFTEIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01948754

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.620

Distribution Coefficient, logD

4.620

Water Solubility, LogSw

-4.71

Polar Surface Area

64.768

Acid Dissociation Constant (pKa)

21.32

Base Dissociation Constant (pKb)

-2.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

2729-0864 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 2729-0864 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2729-0864?
Check Price and Availability of 2729-0864, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2729-0864 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2729-0864
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2729-0864
  • 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 2729-0864 available by request