2729-0334 Screening compound: 3-acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1H-indol-5-yl 3-nitrobenzoate

2729-0334 Screening compound: 3-acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1H-indol-5-yl 3-nitrobenzoate
2729-0334 Screening compound: 3-acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1H-indol-5-yl 3-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2729-0334
3-acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1H-indol-5-yl 3-nitrobenzoate

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

2729-0334

Molecular Formula

C28H26N2O7 (C28 H26 N2 O7)

Compound Name

3-acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1H-indol-5-yl 3-nitrobenzoate

IUPAC name

3-acetyl-1-[2-(34-dimethoxyphenyl)ethyl]-2-methyl-1H-indol-5-yl 3-nitrobenzoate

SMILES

CC(c1c(C)n(CCc(cc2)cc(OC)c2OC)c(cc2)c1cc2OC(c1cccc([N+]([O-])=O)c1)=O)=O

InChI

InChI=1S/C28H26N2O7/c1-17-27(18(2)31)23-16-22(37-28(32)20-6-5-7-21(15-20)30(33)34)9-10-24(23)29(17)13-12-19-8-11-25(35-3)26(14-19)36-4/h5-11,14-16H,12-13H2,1-4H3

InChI Key

JDXXMEPRMFGENN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01238183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.613

Distribution Coefficient, logD

4.613

Water Solubility, LogSw

-4.68

Polar Surface Area

84.264

Acid Dissociation Constant (pKa)

21.32

Base Dissociation Constant (pKb)

-2.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

2729-0334 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 2729-0334 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2729-0334?
Check Price and Availability of 2729-0334, 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 2729-0334 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2729-0334
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2729-0334
  • 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 2729-0334 available by request