C700-0463 Screening compound: (2E)-2-[(4-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}phenyl)methylidene]-4-[(3-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

C700-0463 Screening compound: (2E)-2-[(4-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}phenyl)methylidene]-4-[(3-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one
C700-0463 Screening compound: (2E)-2-[(4-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}phenyl)methylidene]-4-[(3-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-0463
(2E)-2-[(4-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}phenyl)methylidene]-4-[(3-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

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

C700-0463

Molecular Formula

C31H30N2O5 (C31 H30 N2 O5)

Compound Name

(2E)-2-[(4-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}phenyl)methylidene]-4-[(3-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

(2E)-2-[(4-{14-dioxa-8-azaspiro[4.5]decane-8-carbonyl}phenyl)methylidene]-4-[(3-methylphenyl)methyl]-34-dihydro-2H-14-benzoxazin-3-one

SMILES

Cc1cccc(CN(c(cccc2)c2O/C2=C/c(cc3)ccc3C(N(CC3)CCC33OCCO3)=O)C2=O)c1

InChI

InChI=1S/C31H30N2O5/c1-22-5-4-6-24(19-22)21-33-26-7-2-3-8-27(26)38-28(30(33)35)20-23-9-11-25(12-10-23)29(34)32-15-13-31(14-16-32)36-17-18-37-31/h2-12,19-20H,13-18,21H2,1H3

InChI Key

YRAOQNLLVCRZRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14784826

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.636

Distribution Coefficient, logD

4.636

Water Solubility, LogSw

-4.50

Polar Surface Area

54.118

Acid Dissociation Constant (pKa)

26.95

Base Dissociation Constant (pKb)

-3.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.00

References: we are preparing a list of scientific research reports with C700-0463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-0463?
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What is the minimum amount of C700-0463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-0463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-0463
  • 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 C700-0463 available by request