6060-0038 Screening compound: 3-[5-phenyl-1-(prop-2-en-1-yl)-1H-pyrrol-2-yl]propanoic acid

6060-0038 Screening compound: 3-[5-phenyl-1-(prop-2-en-1-yl)-1H-pyrrol-2-yl]propanoic acid
6060-0038 Screening compound: 3-[5-phenyl-1-(prop-2-en-1-yl)-1H-pyrrol-2-yl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6060-0038
3-[5-phenyl-1-(prop-2-en-1-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

6060-0038

Molecular Formula

C16H17NO2 (C16 H17 NO2)

Compound Name

3-[5-phenyl-1-(prop-2-en-1-yl)-1H-pyrrol-2-yl]propanoic acid

IUPAC name

3-[5-phenyl-1-(prop-2-en-1-yl)-1H-pyrrol-2-yl]propanoic acid

SMILES

C=CCn1c(-c2ccccc2)ccc1CCC(O)=O

InChI

InChI=1S/C16H17NO2/c1-2-12-17-14(9-11-16(18)19)8-10-15(17)13-6-4-3-5-7-13/h2-8,10H,1,9,11-12H2,(H,18,19)

InChI Key

OAUVLDKVNVYBAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04210558

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

255.32

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.414

Distribution Coefficient, logD

0.600

Water Solubility, LogSw

-3.51

Polar Surface Area

29.286

Acid Dissociation Constant (pKa)

4.59

Base Dissociation Constant (pKb)

-1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

6060-0038 in Drug Discovery

Included in Screening Libraries

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

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 6060-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6060-0038?
Check Price and Availability of 6060-0038, 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 6060-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6060-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6060-0038
  • 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 6060-0038 available by request