D647-0239 Screening compound: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(piperidin-1-yl)-2-[4-(propan-2-yl)phenyl]ethyl]-1,2-oxazole-3-carboxamide

D647-0239 Screening compound: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(piperidin-1-yl)-2-[4-(propan-2-yl)phenyl]ethyl]-1,2-oxazole-3-carboxamide
D647-0239 Screening compound: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(piperidin-1-yl)-2-[4-(propan-2-yl)phenyl]ethyl]-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D647-0239
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(piperidin-1-yl)-2-[4-(propan-2-yl)phenyl]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

D647-0239

Molecular Formula

C28H33N3O4 (C28 H33 N3 O4)

Compound Name

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(piperidin-1-yl)-2-[4-(propan-2-yl)phenyl]ethyl]-1,2-oxazole-3-carboxamide

IUPAC name

5-(23-dihydro-14-benzodioxin-6-yl)-N-[2-(piperidin-1-yl)-2-[4-(propan-2-yl)phenyl]ethyl]-12-oxazole-3-carboxamide

SMILES

CC(C)c1ccc(C(CNC(c2noc(-c(cc3)cc4c3OCCO4)c2)=O)N2CCCCC2)cc1

InChI

InChI=1S/C28H33N3O4/c1-19(2)20-6-8-21(9-7-20)24(31-12-4-3-5-13-31)18-29-28(32)23-17-26(35-30-23)22-10-11-25-27(16-22)34-15-14-33-25/h6-11,16-17,19,24H,3-5,12-15,18H2,1-2H3,(H,29,32)/t24-/m0/s1

InChI Key

BGQCLSZCPYBMRY-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD18078998

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.593

Distribution Coefficient, logD

3.810

Water Solubility, LogSw

-4.30

Polar Surface Area

64.999

Acid Dissociation Constant (pKa)

13.09

Base Dissociation Constant (pKb)

8.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

D647-0239 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D647-0239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D647-0239?
Check Price and Availability of D647-0239, 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 D647-0239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D647-0239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D647-0239
  • 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 D647-0239 available by request