V028-0243 Screening compound: N-benzyl-4,8-bis(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

V028-0243 Screening compound: N-benzyl-4,8-bis(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
V028-0243 Screening compound: N-benzyl-4,8-bis(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-0243
N-benzyl-4,8-bis(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-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

V028-0243

Molecular Formula

C25H25N3O6 (C25 H25 N3 O6)

Compound Name

N-benzyl-4,8-bis(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

IUPAC name

N-benzyl-48-bis(furan-2-carbonyl)-1-oxa-48-diazaspiro[4.5]decane-3-carboxamide

SMILES

O=C(C(COC1(CC2)CCN2C(c2ccco2)=O)N1C(c1ccco1)=O)NCc1ccccc1

InChI

InChI=1S/C25H25N3O6/c29-22(26-16-18-6-2-1-3-7-18)19-17-34-25(28(19)24(31)21-9-5-15-33-21)10-12-27(13-11-25)23(30)20-8-4-14-32-20/h1-9,14-15,19H,10-13,16-17H2,(H,26,29)/t19-/m1/s1

InChI Key

FCCMGQWEWBSLGN-LJQANCHMSA-N

MDL Number (MFCD)

MFCD19810695

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.421

Distribution Coefficient, logD

1.421

Water Solubility, LogSw

-1.53

Polar Surface Area

81.152

Acid Dissociation Constant (pKa)

12.99

Base Dissociation Constant (pKb)

-0.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

V028-0243 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V028-0243 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-0243?
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What is the minimum amount of V028-0243 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-0243
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-0243
  • 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 V028-0243 available by request