1953-0035 Screening compound: 2-[2,2-dioxohexahydro-2lambda~6~-imidazo[4,5-c][1,2,5]thiadiazol-5(1H)-yliden]-1-oxo-1-hydraziniumolate

1953-0035 Screening compound: 2-[2,2-dioxohexahydro-2lambda~6~-imidazo[4,5-c][1,2,5]thiadiazol-5(1H)-yliden]-1-oxo-1-hydraziniumolate
1953-0035 Screening compound: 2-[2,2-dioxohexahydro-2lambda~6~-imidazo[4,5-c][1,2,5]thiadiazol-5(1H)-yliden]-1-oxo-1-hydraziniumolate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1953-0035
2-[2,2-dioxohexahydro-2lambda~6~-imidazo[4,5-c][1,2,5]thiadiazol-5(1H)-yliden]-1-oxo-1-hydraziniumolate

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

1953-0035

Molecular Formula

C3H6N6O4S (C3 H6 N6 O4 S)

Compound Name

2-[2,2-dioxohexahydro-2lambda~6~-imidazo[4,5-c][1,2,5]thiadiazol-5(1H)-yliden]-1-oxo-1-hydraziniumolate

IUPAC name

5-(nitroimino)-hexahydro-1H-2lambda6-imidazo[45-c][125]thiadiazole-22-dione

SMILES

[O-][N+](N=C(NC1N2)NC1NS2(=O)=O)=O

InChI

InChI=1S/C3H6N6O4S/c10-9(11)6-3-4-1-2(5-3)8-14(12,13)7-1/h1-2,7-8H,(H2,4,5,6)

InChI Key

VRZVLRBMUZYYIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03015578

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

222.18

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-1.925

Distribution Coefficient, logD

-1.925

Water Solubility, LogSw

-1.74

Polar Surface Area

122.125

Acid Dissociation Constant (pKa)

11.90

Base Dissociation Constant (pKb)

3.23

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

66.70

References: we are preparing a list of scientific research reports with 1953-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1953-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
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Delivery formats for 1953-0035
  • 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 1953-0035 available by request