C250-0937 Screening compound: 1-(3-chlorobenzoyl)-3-(4-methoxyphenyl)-1,4-diazaspiro[4.6]undec-3-ene-2-thione

C250-0937 Screening compound: 1-(3-chlorobenzoyl)-3-(4-methoxyphenyl)-1,4-diazaspiro[4.6]undec-3-ene-2-thione
C250-0937 Screening compound: 1-(3-chlorobenzoyl)-3-(4-methoxyphenyl)-1,4-diazaspiro[4.6]undec-3-ene-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound C250-0937
1-(3-chlorobenzoyl)-3-(4-methoxyphenyl)-1,4-diazaspiro[4.6]undec-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

C250-0937

Molecular Formula

C23H23ClN2O2S (C23 H23 ClN2 O2 S)

Compound Name

1-(3-chlorobenzoyl)-3-(4-methoxyphenyl)-1,4-diazaspiro[4.6]undec-3-ene-2-thione

IUPAC name

1-(3-chlorobenzoyl)-3-(4-methoxyphenyl)-14-diazaspiro[4.6]undec-3-ene-2-thione

SMILES

COc(cc1)ccc1C1=NC2(CCCCCC2)N(C(c2cccc(Cl)c2)=O)C1=S

InChI

InChI=1S/C23H23ClN2O2S/c1-28-19-11-9-16(10-12-19)20-22(29)26(21(27)17-7-6-8-18(24)15-17)23(25-20)13-4-2-3-5-14-23/h6-12,15H,2-5,13-14H2,1H3

InChI Key

SJRXXXWLQMKHME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26963694

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.97

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.367

Distribution Coefficient, logD

5.367

Water Solubility, LogSw

-5.85

Polar Surface Area

31.680

Acid Dissociation Constant (pKa)

27.78

Base Dissociation Constant (pKb)

-2.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

C250-0937 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 C250-0937 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C250-0937?
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What is the minimum amount of C250-0937 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C250-0937
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C250-0937
  • 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 C250-0937 available by request