2114-0461 Screening compound: 3-({4-[(1E)-2-phenyldiazen-1-yl]phenyl}carbamoyl)propanoic acid

2114-0461 Screening compound: 3-({4-[(1E)-2-phenyldiazen-1-yl]phenyl}carbamoyl)propanoic acid
2114-0461 Screening compound: 3-({4-[(1E)-2-phenyldiazen-1-yl]phenyl}carbamoyl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2114-0461
3-({4-[(1E)-2-phenyldiazen-1-yl]phenyl}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

2114-0461

Molecular Formula

C16H15N3O3 (C16 H15 N3 O3)

Compound Name

3-({4-[(1E)-2-phenyldiazen-1-yl]phenyl}carbamoyl)propanoic acid

IUPAC name

3-({4-[(1E)-2-phenyldiazen-1-yl]phenyl}carbamoyl)propanoic acid

SMILES

OC(CCC(Nc(cc1)ccc1/N=N/c1ccccc1)=O)=O

InChI

InChI=1S/C16H15N3O3/c20-15(10-11-16(21)22)17-12-6-8-14(9-7-12)19-18-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,17,20)(H,21,22)/b19-18+

InChI Key

ZTLZLRBHKYPFDR-VHEBQXMUSA-N

MDL Number (MFCD)

MFCD00635147

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.777

Distribution Coefficient, logD

-0.172

Water Solubility, LogSw

-3.36

Polar Surface Area

73.459

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

2114-0461 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 2114-0461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2114-0461?
Check Price and Availability of 2114-0461, 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 2114-0461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2114-0461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2114-0461
  • 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 2114-0461 available by request