D400-2013 Screening compound: 4-({3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl}carbamoyl)butanoic acid

D400-2013 Screening compound: 4-({3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl}carbamoyl)butanoic acid
D400-2013 Screening compound: 4-({3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl}carbamoyl)butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D400-2013
4-({3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl}carbamoyl)butanoic 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

D400-2013

Molecular Formula

C20H19N3O4 (C20 H19 N3 O4)

Compound Name

4-({3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl}carbamoyl)butanoic acid

IUPAC name

4-({3-[3-(3-methylphenyl)-124-oxadiazol-5-yl]phenyl}carbamoyl)butanoic acid

SMILES

Cc1cccc(-c2noc(-c3cccc(NC(CCCC(O)=O)=O)c3)n2)c1

InChI

InChI=1S/C20H19N3O4/c1-13-5-2-6-14(11-13)19-22-20(27-23-19)15-7-3-8-16(12-15)21-17(24)9-4-10-18(25)26/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,21,24)(H,25,26)

InChI Key

HADXCAOWVUWJQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14827166

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.442

Distribution Coefficient, logD

0.845

Water Solubility, LogSw

-3.60

Polar Surface Area

83.177

Acid Dissociation Constant (pKa)

4.80

Base Dissociation Constant (pKb)

0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D400-2013 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Phosphatases

References: we are preparing a list of scientific research reports with D400-2013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D400-2013?
Check Price and Availability of D400-2013, 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 D400-2013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D400-2013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D400-2013
  • 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 D400-2013 available by request