C700-0450 Screening compound: 1-(4-{[(2E)-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzoyl)piperidine-4-carboxamide

C700-0450 Screening compound: 1-(4-{[(2E)-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzoyl)piperidine-4-carboxamide
C700-0450 Screening compound: 1-(4-{[(2E)-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzoyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-0450
1-(4-{[(2E)-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzoyl)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

C700-0450

Molecular Formula

C30H29N3O4 (C30 H29 N3 O4)

Compound Name

1-(4-{[(2E)-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzoyl)piperidine-4-carboxamide

IUPAC name

1-(4-{[(2E)-4-[(3-methylphenyl)methyl]-3-oxo-34-dihydro-2H-14-benzoxazin-2-ylidene]methyl}benzoyl)piperidine-4-carboxamide

SMILES

Cc1cccc(CN(c(cccc2)c2O/C2=C/c(cc3)ccc3C(N(CC3)CCC3C(N)=O)=O)C2=O)c1

InChI

InChI=1S/C30H29N3O4/c1-20-5-4-6-22(17-20)19-33-25-7-2-3-8-26(25)37-27(30(33)36)18-21-9-11-24(12-10-21)29(35)32-15-13-23(14-16-32)28(31)34/h2-12,17-18,23H,13-16,19H2,1H3,(H2,31,34)

InChI Key

ONNXEWMNGCTQCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14784814

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.953

Distribution Coefficient, logD

3.953

Water Solubility, LogSw

-4.08

Polar Surface Area

73.740

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

4.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.30

References: we are preparing a list of scientific research reports with C700-0450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-0450?
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What is the minimum amount of C700-0450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-0450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-0450
  • 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 C700-0450 available by request