2729-0520 Screening compound: 3-acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1H-indol-5-yl (2E)-3-phenylprop-2-enoate

2729-0520 Screening compound: 3-acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1H-indol-5-yl (2E)-3-phenylprop-2-enoate
2729-0520 Screening compound: 3-acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1H-indol-5-yl (2E)-3-phenylprop-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2729-0520
3-acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1H-indol-5-yl (2E)-3-phenylprop-2-enoate

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

2729-0520

Molecular Formula

C30H29NO5 (C30 H29 NO5)

Compound Name

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

IUPAC name

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

SMILES

CC(c1c(C)n(CCc(cc2)cc(OC)c2OC)c(cc2)c1cc2OC(/C=C/c1ccccc1)=O)=O

InChI

InChI=1S/C30H29NO5/c1-20-30(21(2)32)25-19-24(36-29(33)15-11-22-8-6-5-7-9-22)12-13-26(25)31(20)17-16-23-10-14-27(34-3)28(18-23)35-4/h5-15,18-19H,16-17H2,1-4H3

InChI Key

NFHYURNKRCIKIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01412810

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.401

Distribution Coefficient, logD

5.401

Water Solubility, LogSw

-5.61

Polar Surface Area

50.288

Acid Dissociation Constant (pKa)

21.32

Base Dissociation Constant (pKb)

-2.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

2729-0520 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with 2729-0520 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2729-0520?
Check Price and Availability of 2729-0520, 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 2729-0520 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2729-0520
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2729-0520
  • 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 2729-0520 available by request