D642-0118 Screening compound: 4-{3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-methylbenzamide

D642-0118 Screening compound: 4-{3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-methylbenzamide
D642-0118 Screening compound: 4-{3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D642-0118
4-{3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-methylbenzamide

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

D642-0118

Molecular Formula

C19H20ClN3O2 (C19 H20 ClN3 O2)

Compound Name

4-{3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-methylbenzamide

IUPAC name

4-{3-[(4-chlorophenyl)methyl]-2-oxo-13-diazinan-1-yl}-N-methylbenzamide

SMILES

CNC(c(cc1)ccc1N(CCCN1Cc(cc2)ccc2Cl)C1=O)=O

InChI

InChI=1S/C19H20ClN3O2/c1-21-18(24)15-5-9-17(10-6-15)23-12-2-11-22(19(23)25)13-14-3-7-16(20)8-4-14/h3-10H,2,11-13H2,1H3,(H,21,24)

InChI Key

JDSXRHKYRAYHNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595128

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.84

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.931

Distribution Coefficient, logD

2.931

Water Solubility, LogSw

-3.67

Polar Surface Area

44.632

Acid Dissociation Constant (pKa)

13.63

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with D642-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D642-0118?
Check Price and Availability of D642-0118, 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 D642-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D642-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D642-0118
  • 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 D642-0118 available by request