2729-0542 Screening compound: 3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl (2Z)-3-phenylprop-2-enoate

2729-0542 Screening compound: 3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl (2Z)-3-phenylprop-2-enoate
2729-0542 Screening compound: 3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl (2Z)-3-phenylprop-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2729-0542
3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl (2Z)-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

2729-0542

Molecular Formula

C27H23NO4 (C27 H23 NO4)

Compound Name

3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl (2Z)-3-phenylprop-2-enoate

IUPAC name

3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl (2Z)-3-phenylprop-2-enoate

SMILES

CC(c(c1c2ccc(OC(/C=C\c3ccccc3)=O)c1)c(C)n2-c(cc1)ccc1OC)=O

InChI

InChI=1S/C27H23NO4/c1-18-27(19(2)29)24-17-23(32-26(30)16-9-20-7-5-4-6-8-20)14-15-25(24)28(18)21-10-12-22(31-3)13-11-21/h4-17H,1-3H3

InChI Key

FCXHLVFSOAZKBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02084726

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.465

Distribution Coefficient, logD

5.465

Water Solubility, LogSw

-5.70

Polar Surface Area

43.336

Acid Dissociation Constant (pKa)

21.32

Base Dissociation Constant (pKb)

-2.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

2729-0542 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2729-0542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2729-0542?
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What is the minimum amount of 2729-0542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2729-0542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2729-0542
  • 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 2729-0542 available by request