D366-0013 Screening compound: 5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-[5-(phenoxymethyl)furan-2-yl]-1,3-oxazole-4-carbonitrile

D366-0013 Screening compound: 5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-[5-(phenoxymethyl)furan-2-yl]-1,3-oxazole-4-carbonitrile
D366-0013 Screening compound: 5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-[5-(phenoxymethyl)furan-2-yl]-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D366-0013
5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-[5-(phenoxymethyl)furan-2-yl]-1,3-oxazole-4-carbonitrile

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

D366-0013

Molecular Formula

C26H21FN4O4 (C26 H21 FN4 O4)

Compound Name

5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-[5-(phenoxymethyl)furan-2-yl]-1,3-oxazole-4-carbonitrile

IUPAC name

5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-[5-(phenoxymethyl)furan-2-yl]-13-oxazole-4-carbonitrile

SMILES

N#Cc1c(N(CC2)CCN2C(c2cccc(F)c2)=O)oc(-c2ccc(COc3ccccc3)o2)n1

InChI

InChI=1S/C26H21FN4O4/c27-19-6-4-5-18(15-19)25(32)30-11-13-31(14-12-30)26-22(16-28)29-24(35-26)23-10-9-21(34-23)17-33-20-7-2-1-3-8-20/h1-10,15H,11-14,17H2

InChI Key

WJBFQGNTBSTWET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14825474

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.091

Distribution Coefficient, logD

4.091

Water Solubility, LogSw

-4.29

Polar Surface Area

71.280

Acid Dissociation Constant (pKa)

27.36

Base Dissociation Constant (pKb)

-4.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

D366-0013 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D366-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D366-0013?
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What is the minimum amount of D366-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D366-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D366-0013
  • 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 D366-0013 available by request