D642-0036 Screening compound: N-[(furan-2-yl)methyl]-4-{3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide

D642-0036 Screening compound: N-[(furan-2-yl)methyl]-4-{3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide
D642-0036 Screening compound: N-[(furan-2-yl)methyl]-4-{3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D642-0036
N-[(furan-2-yl)methyl]-4-{3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide

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

D642-0036

Molecular Formula

C24H25N3O3 (C24 H25 N3 O3)

Compound Name

N-[(furan-2-yl)methyl]-4-{3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide

IUPAC name

N-[(furan-2-yl)methyl]-4-{3-[(4-methylphenyl)methyl]-2-oxo-13-diazinan-1-yl}benzamide

SMILES

Cc1ccc(CN(CCCN2c(cc3)ccc3C(NCc3ccco3)=O)C2=O)cc1

InChI

InChI=1S/C24H25N3O3/c1-18-5-7-19(8-6-18)17-26-13-3-14-27(24(26)29)21-11-9-20(10-12-21)23(28)25-16-22-4-2-15-30-22/h2,4-12,15H,3,13-14,16-17H2,1H3,(H,25,28)

InChI Key

RPHLUQMUJDSKLB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595091

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.088

Distribution Coefficient, logD

4.088

Water Solubility, LogSw

-4.03

Polar Surface Area

51.959

Acid Dissociation Constant (pKa)

11.32

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with D642-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D642-0036?
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What is the minimum amount of D642-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D642-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D642-0036
  • 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 D642-0036 available by request