D561-0955 Screening compound: 1-(2-{5-[(4-bromophenoxy)methyl]furan-2-yl}-4-cyano-1,3-oxazol-5-yl)piperidine-4-carboxamide

D561-0955 Screening compound: 1-(2-{5-[(4-bromophenoxy)methyl]furan-2-yl}-4-cyano-1,3-oxazol-5-yl)piperidine-4-carboxamide
D561-0955 Screening compound: 1-(2-{5-[(4-bromophenoxy)methyl]furan-2-yl}-4-cyano-1,3-oxazol-5-yl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D561-0955
1-(2-{5-[(4-bromophenoxy)methyl]furan-2-yl}-4-cyano-1,3-oxazol-5-yl)piperidine-4-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

D561-0955

Molecular Formula

C21H19BrN4O4 (C21 H19 BrN4 O4)

Compound Name

1-(2-{5-[(4-bromophenoxy)methyl]furan-2-yl}-4-cyano-1,3-oxazol-5-yl)piperidine-4-carboxamide

IUPAC name

1-(2-{5-[(4-bromophenoxy)methyl]furan-2-yl}-4-cyano-13-oxazol-5-yl)piperidine-4-carboxamide

SMILES

NC(C(CC1)CCN1c1c(C#N)nc(-c2ccc(COc(cc3)ccc3Br)o2)o1)=O

InChI

InChI=1S/C21H19BrN4O4/c22-14-1-3-15(4-2-14)28-12-16-5-6-18(29-16)20-25-17(11-23)21(30-20)26-9-7-13(8-10-26)19(24)27/h1-6,13H,7-10,12H2,(H2,24,27)

InChI Key

KTILPRJYBLHJAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18181377

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.503

Distribution Coefficient, logD

3.503

Water Solubility, LogSw

-3.36

Polar Surface Area

88.882

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

4.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D561-0955 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D561-0955 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D561-0955?
Check Price and Availability of D561-0955, 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 D561-0955 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D561-0955
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D561-0955
  • 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 D561-0955 available by request