6238-0020 Screening compound: 3-[5-(4-chlorophenyl)-1-[4-(ethoxycarbonyl)-3-hydroxyphenyl]-1H-pyrrol-2-yl]propanoic acid

6238-0020 Screening compound: 3-[5-(4-chlorophenyl)-1-[4-(ethoxycarbonyl)-3-hydroxyphenyl]-1H-pyrrol-2-yl]propanoic acid
6238-0020 Screening compound: 3-[5-(4-chlorophenyl)-1-[4-(ethoxycarbonyl)-3-hydroxyphenyl]-1H-pyrrol-2-yl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6238-0020
3-[5-(4-chlorophenyl)-1-[4-(ethoxycarbonyl)-3-hydroxyphenyl]-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

6238-0020

Molecular Formula

C22H20ClNO5 (C22 H20 ClNO5)

Compound Name

3-[5-(4-chlorophenyl)-1-[4-(ethoxycarbonyl)-3-hydroxyphenyl]-1H-pyrrol-2-yl]propanoic acid

IUPAC name

3-[5-(4-chlorophenyl)-1-[4-(ethoxycarbonyl)-3-hydroxyphenyl]-1H-pyrrol-2-yl]propanoic acid

SMILES

CCOC(c(ccc(-n1c(-c(cc2)ccc2Cl)ccc1CCC(O)=O)c1)c1O)=O

InChI

InChI=1S/C22H20ClNO5/c1-2-29-22(28)18-10-7-17(13-20(18)25)24-16(9-12-21(26)27)8-11-19(24)14-3-5-15(23)6-4-14/h3-8,10-11,13,25H,2,9,12H2,1H3,(H,26,27)

InChI Key

WYINEJSMCAIBRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04545214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.744

Distribution Coefficient, logD

2.930

Water Solubility, LogSw

-5.63

Polar Surface Area

67.081

Acid Dissociation Constant (pKa)

4.59

Base Dissociation Constant (pKb)

-3.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

6238-0020 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6238-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6238-0020?
Check Price and Availability of 6238-0020, 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 6238-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6238-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6238-0020
  • 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 6238-0020 available by request