8013-3422 Screening compound: 3-[1-(2-methoxyphenyl)-5-(4-methylphenyl)-1H-pyrrol-2-yl]propanoic acid

8013-3422 Screening compound: 3-[1-(2-methoxyphenyl)-5-(4-methylphenyl)-1H-pyrrol-2-yl]propanoic acid
8013-3422 Screening compound: 3-[1-(2-methoxyphenyl)-5-(4-methylphenyl)-1H-pyrrol-2-yl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3422
3-[1-(2-methoxyphenyl)-5-(4-methylphenyl)-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

8013-3422

Molecular Formula

C21H21NO3 (C21 H21 NO3)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-c1ccc(CCC(O)=O)n1-c(cccc1)c1OC

InChI

InChI=1S/C21H21NO3/c1-15-7-9-16(10-8-15)18-13-11-17(12-14-21(23)24)22(18)19-5-3-4-6-20(19)25-2/h3-11,13H,12,14H2,1-2H3,(H,23,24)

InChI Key

WUSDIPVLPKKNJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03488534

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.4

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

4.465

Distribution Coefficient, logD

1.651

Water Solubility, LogSw

-4.32

Polar Surface Area

37.109

Acid Dissociation Constant (pKa)

4.59

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with 8013-3422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3422?
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What is the minimum amount of 8013-3422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3422
  • 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 8013-3422 available by request