3030-2317 Screening compound: 8-[4-(dimethylamino)phenyl]-7,9-dioxa-1-thia-3-azaspiro[4.5]decane-2,4-dione

3030-2317 Screening compound: 8-[4-(dimethylamino)phenyl]-7,9-dioxa-1-thia-3-azaspiro[4.5]decane-2,4-dione
3030-2317 Screening compound: 8-[4-(dimethylamino)phenyl]-7,9-dioxa-1-thia-3-azaspiro[4.5]decane-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3030-2317
8-[4-(dimethylamino)phenyl]-7,9-dioxa-1-thia-3-azaspiro[4.5]decane-2,4-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

3030-2317

Molecular Formula

C14H16N2O4S (C14 H16 N2 O4 S)

Compound Name

8-[4-(dimethylamino)phenyl]-7,9-dioxa-1-thia-3-azaspiro[4.5]decane-2,4-dione

IUPAC name

8-[4-(dimethylamino)phenyl]-79-dioxa-1-thia-3-azaspiro[4.5]decane-24-dione

SMILES

CN(C)c1ccc(C(OC2)OCC2(C(N2)=O)SC2=O)cc1

InChI

InChI=1S/C14H16N2O4S/c1-16(2)10-5-3-9(4-6-10)11-19-7-14(8-20-11)12(17)15-13(18)21-14/h3-6,11H,7-8H2,1-2H3,(H,15,17,18)

InChI Key

WUKATHGSMNYIDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01834165

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.167

Distribution Coefficient, logD

0.892

Water Solubility, LogSw

-2.26

Polar Surface Area

58.125

Acid Dissociation Constant (pKa)

7.46

Base Dissociation Constant (pKb)

5.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

3030-2317 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3030-2317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3030-2317?
Check Price and Availability of 3030-2317, 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 3030-2317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3030-2317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3030-2317
  • 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 3030-2317 available by request