8010-4145 Screening compound: 1,3,6,8-tetrapropyldecahydro-2H,7H-2lambda~6~,7lambda~6~-[1,2,5]thiadiazolo[3'',4'':5',6'][1,4]dioxino[2',3':5,6][1,4]dioxino[2,3-c][1,2,5]thiadiazole-2,2,7,7-tetraone

8010-4145 Screening compound: 1,3,6,8-tetrapropyldecahydro-2H,7H-2lambda~6~,7lambda~6~-[1,2,5]thiadiazolo[3'',4'':5',6'][1,4]dioxino[2',3':5,6][1,4]dioxino[2,3-c][1,2,5]thiadiazole-2,2,7,7-tetraone
8010-4145 Screening compound: 1,3,6,8-tetrapropyldecahydro-2H,7H-2lambda~6~,7lambda~6~-[1,2,5]thiadiazolo[3'',4'':5',6'][1,4]dioxino[2',3':5,6][1,4]dioxino[2,3-c][1,2,5]thiadiazole-2,2,7,7-tetraone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-4145
1,3,6,8-tetrapropyldecahydro-2H,7H-2lambda~6~,7lambda~6~-[1,2,5]thiadiazolo[3'',4'':5',6'][1,4]dioxino[2',3':5,6][1,4]dioxino[2,3-c][1,2,5]thiadiazole-2,2,7,7-tetraone

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

8010-4145

Molecular Formula

C18H34N4O8S2 (C18 H34 N4 O8 S2)

Compound Name

1,3,6,8-tetrapropyldecahydro-2H,7H-2lambda~6~,7lambda~6~-[1,2,5]thiadiazolo[3'',4'':5',6'][1,4]dioxino[2',3':5,6][1,4]dioxino[2,3-c][1,2,5]thiadiazole-2,2,7,7-tetraone

IUPAC name

461214-tetrapropyl-281016-tetraoxa-5lambda613lambda6-dithia-461214-tetraazatetracyclo[7.7.0.0^{37}.0^{1115}]hexadecane-551313-tetrone

SMILES

CCCN(C(C(N1CCC)OC2OC3N4CCC)OC2OC3N(CCC)S4(=O)=O)S1(=O)=O

InChI

InChI=1S/C18H34N4O8S2/c1-5-9-19-13-14(20(10-6-2)31(19,23)24)28-18-17(27-13)29-15-16(30-18)22(12-8-4)32(25,26)21(15)11-7-3/h13-18H,5-12H2,1-4H3

InChI Key

LUAZQEDITOXMFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01872379

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

8.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.788

Distribution Coefficient, logD

1.788

Water Solubility, LogSw

-1.57

Polar Surface Area

105.647

Acid Dissociation Constant (pKa)

27.98

Base Dissociation Constant (pKb)

-5.20

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

100.00

8010-4145 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8010-4145 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8010-4145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-4145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-4145
  • 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 8010-4145 available by request