5730-0014 Screening compound: 3-[5-(4-methoxyphenyl)-1-(naphthalen-2-yl)-1H-pyrrol-2-yl]propanoic acid

5730-0014 Screening compound: 3-[5-(4-methoxyphenyl)-1-(naphthalen-2-yl)-1H-pyrrol-2-yl]propanoic acid
5730-0014 Screening compound: 3-[5-(4-methoxyphenyl)-1-(naphthalen-2-yl)-1H-pyrrol-2-yl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5730-0014
3-[5-(4-methoxyphenyl)-1-(naphthalen-2-yl)-1H-pyrrol-2-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

5730-0014

Molecular Formula

C24H21NO3 (C24 H21 NO3)

Compound Name

3-[5-(4-methoxyphenyl)-1-(naphthalen-2-yl)-1H-pyrrol-2-yl]propanoic acid

IUPAC name

3-[5-(4-methoxyphenyl)-1-(naphthalen-2-yl)-1H-pyrrol-2-yl]propanoic acid

SMILES

COc(cc1)ccc1-c1ccc(CCC(O)=O)n1-c1cc2ccccc2cc1

InChI

InChI=1S/C24H21NO3/c1-28-22-12-7-18(8-13-22)23-14-10-20(11-15-24(26)27)25(23)21-9-6-17-4-2-3-5-19(17)16-21/h2-10,12-14,16H,11,15H2,1H3,(H,26,27)

InChI Key

RQWZTENWYFUBBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03696634

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.464

Distribution Coefficient, logD

2.650

Water Solubility, LogSw

-6.24

Polar Surface Area

37.052

Acid Dissociation Constant (pKa)

4.59

Base Dissociation Constant (pKb)

0.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

5730-0014 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5730-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5730-0014?
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What is the minimum amount of 5730-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5730-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5730-0014
  • 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 5730-0014 available by request