C202-0174 Screening compound: 7,11-bis(3-bromophenyl)-9-sulfanylidene-2,4,8,10-tetraazaspiro[5.5]undecane-1,3,5-trione

C202-0174 Screening compound: 7,11-bis(3-bromophenyl)-9-sulfanylidene-2,4,8,10-tetraazaspiro[5.5]undecane-1,3,5-trione
C202-0174 Screening compound: 7,11-bis(3-bromophenyl)-9-sulfanylidene-2,4,8,10-tetraazaspiro[5.5]undecane-1,3,5-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-0174
7,11-bis(3-bromophenyl)-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

C202-0174

Molecular Formula

C19H14Br2N4O3S (C19 H14 Br2 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(C(c1cc(Br)ccc1)N1)(C(c2cccc(Br)c2)NC1=S)C(N1)=O)NC1=O

InChI

InChI=1S/C19H14Br2N4O3S/c20-11-5-1-3-9(7-11)13-19(15(26)24-17(28)25-16(19)27)14(23-18(29)22-13)10-4-2-6-12(21)8-10/h1-8,13-14H,(H2,22,23,29)(H2,24,25,26,27,28)

InChI Key

QCSIJYTWXHVHSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14729905

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

538.22

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.479

Distribution Coefficient, logD

3.169

Water Solubility, LogSw

-3.85

Polar Surface Area

86.140

Acid Dissociation Constant (pKa)

7.38

Base Dissociation Constant (pKb)

-6.24

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with C202-0174 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-0174?
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What is the minimum amount of C202-0174 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-0174
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-0174
  • 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 C202-0174 available by request