5862-0061 Screening compound: 3-[5-(4-bromophenyl)-1-(4-ethoxyphenyl)-1H-pyrrol-2-yl]propanoic acid

5862-0061 Screening compound: 3-[5-(4-bromophenyl)-1-(4-ethoxyphenyl)-1H-pyrrol-2-yl]propanoic acid
5862-0061 Screening compound: 3-[5-(4-bromophenyl)-1-(4-ethoxyphenyl)-1H-pyrrol-2-yl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5862-0061
3-[5-(4-bromophenyl)-1-(4-ethoxyphenyl)-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

5862-0061

Molecular Formula

C21H20BrNO3 (C21 H20 BrNO3)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1-n1c(-c(cc2)ccc2Br)ccc1CCC(O)=O

InChI

InChI=1S/C21H20BrNO3/c1-2-26-19-11-7-17(8-12-19)23-18(10-14-21(24)25)9-13-20(23)15-3-5-16(22)6-4-15/h3-9,11-13H,2,10,14H2,1H3,(H,24,25)

InChI Key

JHSGVPOOQRBCIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04519565

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.468

Distribution Coefficient, logD

2.654

Water Solubility, LogSw

-5.28

Polar Surface Area

36.903

Acid Dissociation Constant (pKa)

4.59

Base Dissociation Constant (pKb)

-1.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

5862-0061 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5862-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5862-0061?
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What is the minimum amount of 5862-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5862-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5862-0061
  • 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 5862-0061 available by request