8006-8735 Screening compound: 3-{4-[(3-methylphenyl)imino]-2-thioxo-1,3-diazaspiro[4.5]dec-1-yl}benzoic acid

8006-8735 Screening compound: 3-{4-[(3-methylphenyl)imino]-2-thioxo-1,3-diazaspiro[4.5]dec-1-yl}benzoic acid
8006-8735 Screening compound: 3-{4-[(3-methylphenyl)imino]-2-thioxo-1,3-diazaspiro[4.5]dec-1-yl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-8735
3-{4-[(3-methylphenyl)imino]-2-thioxo-1,3-diazaspiro[4.5]dec-1-yl}benzoic acid

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

8006-8735

Molecular Formula

C22H23N3O2S (C22 H23 N3 O2 S)

Compound Name

3-{4-[(3-methylphenyl)imino]-2-thioxo-1,3-diazaspiro[4.5]dec-1-yl}benzoic acid

IUPAC name

3-[(4Z)-4-[(3-methylphenyl)imino]-2-sulfanylidene-13-diazaspiro[4.5]decan-1-yl]benzoic acid

SMILES

Cc1cccc(/N=C(/C2(CCCCC2)N2c3cc(C(O)=O)ccc3)\NC2=S)c1

InChI

InChI=1S/C22H23N3O2S/c1-15-7-5-9-17(13-15)23-20-22(11-3-2-4-12-22)25(21(28)24-20)18-10-6-8-16(14-18)19(26)27/h5-10,13-14H,2-4,11-12H2,1H3,(H,26,27)(H,23,24,28)

InChI Key

BSZPWPLQUBUNRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00827169

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.342

Distribution Coefficient, logD

2.657

Water Solubility, LogSw

-5.01

Polar Surface Area

49.942

Acid Dissociation Constant (pKa)

4.72

Base Dissociation Constant (pKb)

6.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.82

8006-8735 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8006-8735 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-8735?
Check Price and Availability of 8006-8735, 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 8006-8735 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-8735
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-8735
  • 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 8006-8735 available by request