1988-0072 Screening compound: 3-(5-METHYL-2,3-DIPHENYL-1H-INDOL-1-YL)PROPANOIC ACID

1988-0072 Screening compound: 3-(5-METHYL-2,3-DIPHENYL-1H-INDOL-1-YL)PROPANOIC ACID
1988-0072 Screening compound: 3-(5-METHYL-2,3-DIPHENYL-1H-INDOL-1-YL)PROPANOIC ACID alternative view

Chemical Structure Depiction of ChemDiv screening compound 1988-0072
3-(5-METHYL-2,3-DIPHENYL-1H-INDOL-1-YL)PROPANOIC ACID

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

1988-0072

Molecular Formula

C24H21NO2 (C24 H21 NO2)

Compound Name

3-(5-METHYL-2,3-DIPHENYL-1H-INDOL-1-YL)PROPANOIC ACID

IUPAC name

n/a

SMILES

Cc(cc1)cc2c1n(CCC(O)=O)c(-c1ccccc1)c2-c1ccccc1

InChI

InChI=1S/C24H21NO2/c1-17-12-13-21-20(16-17)23(18-8-4-2-5-9-18)24(19-10-6-3-7-11-19)25(21)15-14-22(26)27/h2-13,16H,14-15H2,1H3,(H,26,27)

InChI Key

PTAQSYCAZMXLFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01027921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.048

Distribution Coefficient, logD

2.253

Water Solubility, LogSw

-4.68

Polar Surface Area

28.559

Acid Dissociation Constant (pKa)

4.61

Base Dissociation Constant (pKb)

-2.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

1988-0072 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Cardiovascular Library (22201 compounds)

STING Agonist Library (5895 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Others
  • Phosphatases

References: we are preparing a list of scientific research reports with 1988-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1988-0072?
Check Price and Availability of 1988-0072, 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 1988-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1988-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1988-0072
  • 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 1988-0072 available by request