C250-0528 Screening compound: 1-benzoyl-3-(4-bromophenyl)-1,4-diazaspiro[4.5]dec-3-ene-2-thione

C250-0528 Screening compound: 1-benzoyl-3-(4-bromophenyl)-1,4-diazaspiro[4.5]dec-3-ene-2-thione
C250-0528 Screening compound: 1-benzoyl-3-(4-bromophenyl)-1,4-diazaspiro[4.5]dec-3-ene-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound C250-0528
1-benzoyl-3-(4-bromophenyl)-1,4-diazaspiro[4.5]dec-3-ene-2-thione

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

C250-0528

Molecular Formula

C21H19BrN2OS (C21 H19 BrN2 OS)

Compound Name

1-benzoyl-3-(4-bromophenyl)-1,4-diazaspiro[4.5]dec-3-ene-2-thione

IUPAC name

1-benzoyl-3-(4-bromophenyl)-14-diazaspiro[4.5]dec-3-ene-2-thione

SMILES

O=C(c1ccccc1)N(C1(CCCCC1)N=C1c(cc2)ccc2Br)C1=S

InChI

InChI=1S/C21H19BrN2OS/c22-17-11-9-15(10-12-17)18-20(26)24(19(25)16-7-3-1-4-8-16)21(23-18)13-5-2-6-14-21/h1,3-4,7-12H,2,5-6,13-14H2

InChI Key

GBEKWRGEYFCKOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14736027

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.039

Distribution Coefficient, logD

5.039

Water Solubility, LogSw

-4.86

Polar Surface Area

23.805

Acid Dissociation Constant (pKa)

28.08

Base Dissociation Constant (pKb)

-3.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C250-0528 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 C250-0528 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C250-0528?
Check Price and Availability of C250-0528, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C250-0528 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C250-0528
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C250-0528
  • 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 C250-0528 available by request