4783-0059 Screening compound: 3-{[4-(5-METHYL-1,3-BENZOXAZOL-2-YL)PHENYL]CARBAMOYL}PROPANOIC ACID

4783-0059 Screening compound: 3-{[4-(5-METHYL-1,3-BENZOXAZOL-2-YL)PHENYL]CARBAMOYL}PROPANOIC ACID
4783-0059 Screening compound: 3-{[4-(5-METHYL-1,3-BENZOXAZOL-2-YL)PHENYL]CARBAMOYL}PROPANOIC ACID alternative view

Chemical Structure Depiction of ChemDiv screening compound 4783-0059
3-{[4-(5-METHYL-1,3-BENZOXAZOL-2-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

4783-0059

Molecular Formula

C18H16N2O4 (C18 H16 N2 O4)

Compound Name

3-{[4-(5-METHYL-1,3-BENZOXAZOL-2-YL)PHENYL]CARBAMOYL}PROPANOIC ACID

IUPAC name

n/a

SMILES

Cc(cc1)cc2c1oc(-c(cc1)ccc1NC(CCC(O)=O)=O)n2

InChI

InChI=1S/C18H16N2O4/c1-11-2-7-15-14(10-11)20-18(24-15)12-3-5-13(6-4-12)19-16(21)8-9-17(22)23/h2-7,10H,8-9H2,1H3,(H,19,21)(H,22,23)

InChI Key

OUQRNCFQXYUTKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01974639

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.545

Distribution Coefficient, logD

-0.404

Water Solubility, LogSw

-2.77

Polar Surface Area

68.582

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

1.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

4783-0059 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Arginase Targeted Library (2009 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4783-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4783-0059?
Check Price and Availability of 4783-0059, 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 4783-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4783-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4783-0059
  • 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 4783-0059 available by request