C195-0009 Screening compound: 7,11-bis(3-nitrophenyl)-9-sulfanylidene-2,4,8,10-tetraazaspiro[5.5]undecane-1,3,5-trione

C195-0009 Screening compound: 7,11-bis(3-nitrophenyl)-9-sulfanylidene-2,4,8,10-tetraazaspiro[5.5]undecane-1,3,5-trione
C195-0009 Screening compound: 7,11-bis(3-nitrophenyl)-9-sulfanylidene-2,4,8,10-tetraazaspiro[5.5]undecane-1,3,5-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound C195-0009
7,11-bis(3-nitrophenyl)-9-sulfanylidene-2,4,8,10-tetraazaspiro[5.5]undecane-1,3,5-trione

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

C195-0009

Molecular Formula

C19H14N6O7S (C19 H14 N6 O7 S)

Compound Name

7,11-bis(3-nitrophenyl)-9-sulfanylidene-2,4,8,10-tetraazaspiro[5.5]undecane-1,3,5-trione

IUPAC name

711-bis(3-nitrophenyl)-9-sulfanylidene-24810-tetraazaspiro[5.5]undecane-135-trione

SMILES

[O-][N+](c1cccc(C(C(C(c2cc([N+]([O-])=O)ccc2)N2)(C(NC(N3)=O)=O)C3=O)NC2=S)c1)=O

InChI

InChI=1S/C19H14N6O7S/c26-15-19(16(27)23-17(28)22-15)13(9-3-1-5-11(7-9)24(29)30)20-18(33)21-14(19)10-4-2-6-12(8-10)25(31)32/h1-8,13-14H,(H2,20,21,33)(H2,22,23,26,27,28)

InChI Key

BEWXYLVEEPXAMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05031780

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.42

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

1.531

Distribution Coefficient, logD

1.221

Water Solubility, LogSw

-2.47

Polar Surface Area

152.903

Acid Dissociation Constant (pKa)

7.38

Base Dissociation Constant (pKb)

-7.78

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with C195-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C195-0009?
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What is the minimum amount of C195-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C195-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C195-0009
  • 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 C195-0009 available by request