D561-0958 Screening compound: 1-(4-cyano-2-{5-[(2,5-dimethylphenoxy)methyl]furan-2-yl}-1,3-oxazol-5-yl)piperidine-4-carboxamide

D561-0958 Screening compound: 1-(4-cyano-2-{5-[(2,5-dimethylphenoxy)methyl]furan-2-yl}-1,3-oxazol-5-yl)piperidine-4-carboxamide
D561-0958 Screening compound: 1-(4-cyano-2-{5-[(2,5-dimethylphenoxy)methyl]furan-2-yl}-1,3-oxazol-5-yl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D561-0958
1-(4-cyano-2-{5-[(2,5-dimethylphenoxy)methyl]furan-2-yl}-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

D561-0958

Molecular Formula

C23H24N4O4 (C23 H24 N4 O4)

Compound Name

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

IUPAC name

1-(4-cyano-2-{5-[(25-dimethylphenoxy)methyl]furan-2-yl}-13-oxazol-5-yl)piperidine-4-carboxamide

SMILES

Cc1cc(OCc2ccc(-c3nc(C#N)c(N(CC4)CCC4C(N)=O)o3)o2)c(C)cc1

InChI

InChI=1S/C23H24N4O4/c1-14-3-4-15(2)20(11-14)29-13-17-5-6-19(30-17)22-26-18(12-24)23(31-22)27-9-7-16(8-10-27)21(25)28/h3-6,11,16H,7-10,13H2,1-2H3,(H2,25,28)

InChI Key

HCDAIOXHSWKFJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833589

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.47

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

3.592

Distribution Coefficient, logD

3.592

Water Solubility, LogSw

-3.58

Polar Surface Area

88.969

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

4.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

D561-0958 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D561-0958 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D561-0958?
Check Price and Availability of D561-0958, 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 D561-0958 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D561-0958
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D561-0958
  • 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 D561-0958 available by request