8006-6616 Screening compound: (5E)-1-benzyl-5-[(1-benzyl-1H-indol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione

8006-6616 Screening compound: (5E)-1-benzyl-5-[(1-benzyl-1H-indol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
8006-6616 Screening compound: (5E)-1-benzyl-5-[(1-benzyl-1H-indol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-6616
(5E)-1-benzyl-5-[(1-benzyl-1H-indol-3-yl)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

8006-6616

Molecular Formula

C27H21N3O3 (C27 H21 N3 O3)

Compound Name

(5E)-1-benzyl-5-[(1-benzyl-1H-indol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione

IUPAC name

(5E)-1-benzyl-5-[(1-benzyl-1H-indol-3-yl)methylidene]-13-diazinane-246-trione

SMILES

O=C(/C(/C(N1Cc2ccccc2)=O)=C\c2cn(Cc3ccccc3)c3c2cccc3)NC1=O

InChI

InChI=1S/C27H21N3O3/c31-25-23(26(32)30(27(33)28-25)17-20-11-5-2-6-12-20)15-21-18-29(16-19-9-3-1-4-10-19)24-14-8-7-13-22(21)24/h1-15,18H,16-17H2,(H,28,31,33)

InChI Key

PRWQWYNQGGELGS-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.418

Distribution Coefficient, logD

4.351

Water Solubility, LogSw

-4.39

Polar Surface Area

55.734

Acid Dissociation Constant (pKa)

8.18

Base Dissociation Constant (pKb)

-3.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.40

References: we are preparing a list of scientific research reports with 8006-6616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-6616?
Check Price and Availability of 8006-6616, 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 8006-6616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-6616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-6616
  • 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 8006-6616 available by request