5408-2361 Screening compound: 3-[5-(4-bromophenyl)-1-(2,5-dimethylphenyl)-1H-pyrrol-2-yl]propanoic acid

5408-2361 Screening compound: 3-[5-(4-bromophenyl)-1-(2,5-dimethylphenyl)-1H-pyrrol-2-yl]propanoic acid
5408-2361 Screening compound: 3-[5-(4-bromophenyl)-1-(2,5-dimethylphenyl)-1H-pyrrol-2-yl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5408-2361
3-[5-(4-bromophenyl)-1-(2,5-dimethylphenyl)-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

5408-2361

Molecular Formula

C21H20BrNO2 (C21 H20 BrNO2)

Compound Name

3-[5-(4-bromophenyl)-1-(2,5-dimethylphenyl)-1H-pyrrol-2-yl]propanoic acid

IUPAC name

3-[5-(4-bromophenyl)-1-(25-dimethylphenyl)-1H-pyrrol-2-yl]propanoic acid

SMILES

Cc1cc(-n2c(-c(cc3)ccc3Br)ccc2CCC(O)=O)c(C)cc1

InChI

InChI=1S/C21H20BrNO2/c1-14-3-4-15(2)20(13-14)23-18(10-12-21(24)25)9-11-19(23)16-5-7-17(22)8-6-16/h3-9,11,13H,10,12H2,1-2H3,(H,24,25)

InChI Key

ZYDAZODOIRMFBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03706124

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.3

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

6.032

Distribution Coefficient, logD

3.218

Water Solubility, LogSw

-5.20

Polar Surface Area

29.478

Acid Dissociation Constant (pKa)

4.59

Base Dissociation Constant (pKb)

-1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with 5408-2361 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5408-2361?
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What is the minimum amount of 5408-2361 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5408-2361
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5408-2361
  • 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 5408-2361 available by request