8004-5281 Screening compound: 3-[(4-iodophenyl)carbamoyl]propanoic acid

8004-5281 Screening compound: 3-[(4-iodophenyl)carbamoyl]propanoic acid
8004-5281 Screening compound: 3-[(4-iodophenyl)carbamoyl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-5281
3-[(4-iodophenyl)carbamoyl]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

8004-5281

Molecular Formula

C10H10INO3 (C10 H10 INO3)

Compound Name

3-[(4-iodophenyl)carbamoyl]propanoic acid

IUPAC name

3-[(4-iodophenyl)carbamoyl]propanoic acid

SMILES

OC(CCC(Nc(cc1)ccc1I)=O)=O

InChI

InChI=1S/C10H10INO3/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)

InChI Key

UEWAGINHLGZFAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00029844

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.1

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.000

Distribution Coefficient, logD

-0.949

Water Solubility, LogSw

-2.52

Polar Surface Area

51.772

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8004-5281 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Others
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8004-5281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-5281?
Check Price and Availability of 8004-5281, 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 8004-5281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-5281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-5281
  • 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 8004-5281 available by request