1638-0030 Screening compound: ethyl 3-(5-methyl-2,3-diphenyl-1H-indol-1-yl)propanoate

1638-0030 Screening compound: ethyl 3-(5-methyl-2,3-diphenyl-1H-indol-1-yl)propanoate
1638-0030 Screening compound: ethyl 3-(5-methyl-2,3-diphenyl-1H-indol-1-yl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1638-0030
ethyl 3-(5-methyl-2,3-diphenyl-1H-indol-1-yl)propanoate

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

1638-0030

Molecular Formula

C26H25NO2 (C26 H25 NO2)

Compound Name

ethyl 3-(5-methyl-2,3-diphenyl-1H-indol-1-yl)propanoate

IUPAC name

ethyl 3-(5-methyl-23-diphenyl-1H-indol-1-yl)propanoate

SMILES

CCOC(CCn(c1c2cc(C)cc1)c(-c1ccccc1)c2-c1ccccc1)=O

InChI

InChI=1S/C26H25NO2/c1-3-29-24(28)16-17-27-23-15-14-19(2)18-22(23)25(20-10-6-4-7-11-20)26(27)21-12-8-5-9-13-21/h4-15,18H,3,16-17H2,1-2H3

InChI Key

LEJNGTVEIZVFCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01027919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.492

Distribution Coefficient, logD

6.492

Water Solubility, LogSw

-5.68

Polar Surface Area

20.334

Acid Dissociation Constant (pKa)

22.46

Base Dissociation Constant (pKb)

-2.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

1638-0030 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 1638-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1638-0030?
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What is the minimum amount of 1638-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1638-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1638-0030
  • 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 1638-0030 available by request