8011-9932 Screening compound: 1,1',3,3'-tetraisopropyloctahydro-5H,5'H-5,5'-bi[1,3]dioxolo[4,5-c][1,2,5]thiadiazole 2,2,2',2'-tetraoxide

8011-9932 Screening compound: 1,1',3,3'-tetraisopropyloctahydro-5H,5'H-5,5'-bi[1,3]dioxolo[4,5-c][1,2,5]thiadiazole 2,2,2',2'-tetraoxide
8011-9932 Screening compound: 1,1',3,3'-tetraisopropyloctahydro-5H,5'H-5,5'-bi[1,3]dioxolo[4,5-c][1,2,5]thiadiazole 2,2,2',2'-tetraoxide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-9932
1,1',3,3'-tetraisopropyloctahydro-5H,5'H-5,5'-bi[1,3]dioxolo[4,5-c][1,2,5]thiadiazole 2,2,2',2'-tetraoxide

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

8011-9932

Molecular Formula

C18H34N4O8S2 (C18 H34 N4 O8 S2)

Compound Name

1,1',3,3'-tetraisopropyloctahydro-5H,5'H-5,5'-bi[1,3]dioxolo[4,5-c][1,2,5]thiadiazole 2,2,2',2'-tetraoxide

IUPAC name

5-[22-dioxo-13-bis(propan-2-yl)-tetrahydro-1H-2lambda6-[13]dioxolo[45-c][125]thiadiazol-5-yl]-13-bis(propan-2-yl)-tetrahydro-1H-2lambda6-[13]dioxolo[45-c][125]thiadiazole-22-dione

SMILES

CC(C)N(C1OC(C(OC2N3C(C)C)OC2N(C(C)C)S3(=O)=O)OC1N1C(C)C)S1(=O)=O

InChI

InChI=1S/C18H34N4O8S2/c1-9(2)19-13-14(20(10(3)4)31(19,23)24)28-17(27-13)18-29-15-16(30-18)22(12(7)8)32(25,26)21(15)11(5)6/h9-18H,1-8H3

InChI Key

ZIEDAKIIJRZKNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02319993

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.62

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.858

Distribution Coefficient, logD

1.858

Water Solubility, LogSw

-1.64

Polar Surface Area

105.308

Acid Dissociation Constant (pKa)

27.74

Base Dissociation Constant (pKb)

-4.49

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

100.00

8011-9932 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8011-9932 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8011-9932 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-9932
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-9932
  • 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 8011-9932 available by request