3681-1201 Screening compound: 5-{[4-(benzyloxy)-3-chlorophenyl]methylidene}-1,3-diazinane-2,4,6-trione

3681-1201 Screening compound: 5-{[4-(benzyloxy)-3-chlorophenyl]methylidene}-1,3-diazinane-2,4,6-trione
3681-1201 Screening compound: 5-{[4-(benzyloxy)-3-chlorophenyl]methylidene}-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3681-1201
5-{[4-(benzyloxy)-3-chlorophenyl]methylidene}-1,3-diazinane-2,4,6-trione

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

3681-1201

Molecular Formula

C18H13ClN2O4 (C18 H13 ClN2 O4)

Compound Name

5-{[4-(benzyloxy)-3-chlorophenyl]methylidene}-1,3-diazinane-2,4,6-trione

IUPAC name

5-{[4-(benzyloxy)-3-chlorophenyl]methylidene}-13-diazinane-246-trione

SMILES

O=C(C(C(N1)=O)=Cc(cc2)cc(Cl)c2OCc2ccccc2)NC1=O

InChI

InChI=1S/C18H13ClN2O4/c19-14-9-12(8-13-16(22)20-18(24)21-17(13)23)6-7-15(14)25-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,20,21,22,23,24)

InChI Key

WRVHQWWSXALWDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02609475

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.77

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.838

Distribution Coefficient, logD

2.491

Water Solubility, LogSw

-3.41

Polar Surface Area

69.957

Acid Dissociation Constant (pKa)

7.31

Base Dissociation Constant (pKb)

-6.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

3681-1201 in Drug Discovery

Included in Screening Libraries

Human Receptors Annotated Library (5376 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3681-1201 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3681-1201?
Check Price and Availability of 3681-1201, 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 3681-1201 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3681-1201
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3681-1201
  • 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 3681-1201 available by request