3699-0347 Screening compound: (5Z)-5-[(1,2-dimethyl-1H-indol-3-yl)methylidene]-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione

3699-0347 Screening compound: (5Z)-5-[(1,2-dimethyl-1H-indol-3-yl)methylidene]-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione
3699-0347 Screening compound: (5Z)-5-[(1,2-dimethyl-1H-indol-3-yl)methylidene]-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3699-0347
(5Z)-5-[(1,2-dimethyl-1H-indol-3-yl)methylidene]-1-(3-methylphenyl)-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

3699-0347

Molecular Formula

C22H19N3O3 (C22 H19 N3 O3)

Compound Name

(5Z)-5-[(1,2-dimethyl-1H-indol-3-yl)methylidene]-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione

IUPAC name

(5Z)-5-[(12-dimethyl-1H-indol-3-yl)methylidene]-1-(3-methylphenyl)-13-diazinane-246-trione

SMILES

Cc1c(/C=C(/C(NC(N2c3cc(C)ccc3)=O)=O)\C2=O)c(cccc2)c2n1C

InChI

InChI=1S/C22H19N3O3/c1-13-7-6-8-15(11-13)25-21(27)18(20(26)23-22(25)28)12-17-14(2)24(3)19-10-5-4-9-16(17)19/h4-12H,1-3H3,(H,23,26,28)

InChI Key

JHLVJGHTXZTVRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02624380

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.062

Distribution Coefficient, logD

3.021

Water Solubility, LogSw

-3.37

Polar Surface Area

55.673

Acid Dissociation Constant (pKa)

8.40

Base Dissociation Constant (pKb)

-2.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with 3699-0347 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3699-0347?
Check Price and Availability of 3699-0347, 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 3699-0347 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3699-0347
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3699-0347
  • 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 3699-0347 available by request