5862-0082 Screening compound: 3-[5-(4-chlorophenyl)-1-(4-acetamidophenyl)-1H-pyrrol-2-yl]propanoic acid

5862-0082 Screening compound: 3-[5-(4-chlorophenyl)-1-(4-acetamidophenyl)-1H-pyrrol-2-yl]propanoic acid
5862-0082 Screening compound: 3-[5-(4-chlorophenyl)-1-(4-acetamidophenyl)-1H-pyrrol-2-yl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5862-0082
3-[5-(4-chlorophenyl)-1-(4-acetamidophenyl)-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

5862-0082

Molecular Formula

C21H19ClN2O3 (C21 H19 ClN2 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(Nc(cc1)ccc1-n1c(-c(cc2)ccc2Cl)ccc1CCC(O)=O)=O

InChI

InChI=1S/C21H19ClN2O3/c1-14(25)23-17-6-8-18(9-7-17)24-19(11-13-21(26)27)10-12-20(24)15-2-4-16(22)5-3-15/h2-10,12H,11,13H2,1H3,(H,23,25)(H,26,27)

InChI Key

FGAABICWPXWMPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03724164

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.85

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.061

Distribution Coefficient, logD

1.247

Water Solubility, LogSw

-4.34

Polar Surface Area

53.041

Acid Dissociation Constant (pKa)

4.59

Base Dissociation Constant (pKb)

3.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

5862-0082 in Drug Discovery

Included in Screening Libraries

Integrin Receptors Targeted library (1715 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 5862-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5862-0082?
Check Price and Availability of 5862-0082, 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 5862-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5862-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5862-0082
  • 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 5862-0082 available by request