D459-0111 Screening compound: 5-(4-bromophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,2-oxazole-3-carboxamide

D459-0111 Screening compound: 5-(4-bromophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,2-oxazole-3-carboxamide
D459-0111 Screening compound: 5-(4-bromophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D459-0111
5-(4-bromophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-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

D459-0111

Molecular Formula

C18H18BrN3O3 (C18 H18 BrN3 O3)

Compound Name

5-(4-bromophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,2-oxazole-3-carboxamide

IUPAC name

5-(4-bromophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-12-oxazole-3-carboxamide

SMILES

CN(C)C(CNC(c1noc(-c(cc2)ccc2Br)c1)=O)c1ccco1

InChI

InChI=1S/C18H18BrN3O3/c1-22(2)15(16-4-3-9-24-16)11-20-18(23)14-10-17(25-21-14)12-5-7-13(19)8-6-12/h3-10,15H,11H2,1-2H3,(H,20,23)/t15-/m0/s1

InChI Key

RSYVCNPRKNZPJO-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD10042577

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.26

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.473

Distribution Coefficient, logD

3.361

Water Solubility, LogSw

-3.74

Polar Surface Area

57.107

Acid Dissociation Constant (pKa)

13.22

Base Dissociation Constant (pKb)

6.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

D459-0111 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D459-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D459-0111?
Check Price and Availability of D459-0111, 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 D459-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D459-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D459-0111
  • 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 D459-0111 available by request