8013-9760 Screening compound: 1,3-dimethyl-5-[(1-methyl-1H-indol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

8013-9760 Screening compound: 1,3-dimethyl-5-[(1-methyl-1H-indol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
8013-9760 Screening compound: 1,3-dimethyl-5-[(1-methyl-1H-indol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-9760
1,3-dimethyl-5-[(1-methyl-1H-indol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

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

8013-9760

Molecular Formula

C16H15N3O2S (C16 H15 N3 O2 S)

Compound Name

1,3-dimethyl-5-[(1-methyl-1H-indol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

IUPAC name

13-dimethyl-5-[(1-methyl-1H-indol-3-yl)methylidene]-2-sulfanylidene-13-diazinane-46-dione

SMILES

Cn1c(cccc2)c2c(C=C(C(N(C)C(N2C)=S)=O)C2=O)c1

InChI

InChI=1S/C16H15N3O2S/c1-17-9-10(11-6-4-5-7-13(11)17)8-12-14(20)18(2)16(22)19(3)15(12)21/h4-9H,1-3H3

InChI Key

VDXKNIDQEOUSRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01950082

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.174

Distribution Coefficient, logD

1.174

Water Solubility, LogSw

-2.05

Polar Surface Area

34.378

Acid Dissociation Constant (pKa)

31.15

Base Dissociation Constant (pKb)

-2.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

8013-9760 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 8013-9760 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-9760?
Check Price and Availability of 8013-9760, 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 8013-9760 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-9760
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-9760
  • 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 8013-9760 available by request