C202-0229 Screening compound: 7,11-bis(3-bromophenyl)-9-{[(2-methylphenyl)methyl]sulfanyl}-2,4,8,10-tetraazaspiro[5.5]undec-8-ene-1,3,5-trione

C202-0229 Screening compound: 7,11-bis(3-bromophenyl)-9-{[(2-methylphenyl)methyl]sulfanyl}-2,4,8,10-tetraazaspiro[5.5]undec-8-ene-1,3,5-trione
C202-0229 Screening compound: 7,11-bis(3-bromophenyl)-9-{[(2-methylphenyl)methyl]sulfanyl}-2,4,8,10-tetraazaspiro[5.5]undec-8-ene-1,3,5-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-0229
7,11-bis(3-bromophenyl)-9-{[(2-methylphenyl)methyl]sulfanyl}-2,4,8,10-tetraazaspiro[5.5]undec-8-ene-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

C202-0229

Molecular Formula

C27H22Br2N4O3S (C27 H22 Br2 N4 O3 S)

Compound Name

7,11-bis(3-bromophenyl)-9-{[(2-methylphenyl)methyl]sulfanyl}-2,4,8,10-tetraazaspiro[5.5]undec-8-ene-1,3,5-trione

IUPAC name

711-bis(3-bromophenyl)-9-{[(2-methylphenyl)methyl]sulfanyl}-24810-tetraazaspiro[5.5]undec-8-ene-135-trione

SMILES

Cc1c(CSC(NC(C2(C(NC(N3)=O)=O)C3=O)c3cc(Br)ccc3)=NC2c2cccc(Br)c2)cccc1

InChI

InChI=1S/C27H22Br2N4O3S/c1-15-6-2-3-7-18(15)14-37-26-30-21(16-8-4-10-19(28)12-16)27(23(34)32-25(36)33-24(27)35)22(31-26)17-9-5-11-20(29)13-17/h2-13,21-22H,14H2,1H3,(H,30,31)(H2,32,33,34,35,36)

InChI Key

ZGAYXYKGKIICMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14729919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

642.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.684

Distribution Coefficient, logD

6.684

Water Solubility, LogSw

-5.61

Polar Surface Area

84.537

Acid Dissociation Constant (pKa)

7.38

Base Dissociation Constant (pKb)

10.76

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

18.50

C202-0229 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 C202-0229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-0229?
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What is the minimum amount of C202-0229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-0229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-0229
  • 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 C202-0229 available by request