C226-1616 Screening compound: 5-(2,5-dimethoxyphenyl)-N-[3-(1H-imidazol-1-yl)propyl]-1,2-oxazole-3-carboxamide

C226-1616 Screening compound: 5-(2,5-dimethoxyphenyl)-N-[3-(1H-imidazol-1-yl)propyl]-1,2-oxazole-3-carboxamide
C226-1616 Screening compound: 5-(2,5-dimethoxyphenyl)-N-[3-(1H-imidazol-1-yl)propyl]-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-1616
5-(2,5-dimethoxyphenyl)-N-[3-(1H-imidazol-1-yl)propyl]-1,2-oxazole-3-carboxamide

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

C226-1616

Molecular Formula

C18H20N4O4 (C18 H20 N4 O4)

Compound Name

5-(2,5-dimethoxyphenyl)-N-[3-(1H-imidazol-1-yl)propyl]-1,2-oxazole-3-carboxamide

IUPAC name

5-(25-dimethoxyphenyl)-N-[3-(1H-imidazol-1-yl)propyl]-12-oxazole-3-carboxamide

SMILES

COc(cc1)cc(-c2cc(C(NCCCn3cncc3)=O)no2)c1OC

InChI

InChI=1S/C18H20N4O4/c1-24-13-4-5-16(25-2)14(10-13)17-11-15(21-26-17)18(23)20-6-3-8-22-9-7-19-12-22/h4-5,7,9-12H,3,6,8H2,1-2H3,(H,20,23)

InChI Key

LKTZQOVIJJGLLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14733069

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.650

Distribution Coefficient, logD

1.408

Water Solubility, LogSw

-2.15

Polar Surface Area

74.003

Acid Dissociation Constant (pKa)

15.09

Base Dissociation Constant (pKb)

7.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

C226-1616 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C226-1616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-1616?
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What is the minimum amount of C226-1616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-1616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-1616
  • 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 C226-1616 available by request