2958-7525 Screening compound: (5Z)-5-({5-[(4-chlorophenyl)sulfanyl]furan-2-yl}methylidene)-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione

2958-7525 Screening compound: (5Z)-5-({5-[(4-chlorophenyl)sulfanyl]furan-2-yl}methylidene)-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
2958-7525 Screening compound: (5Z)-5-({5-[(4-chlorophenyl)sulfanyl]furan-2-yl}methylidene)-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2958-7525
(5Z)-5-({5-[(4-chlorophenyl)sulfanyl]furan-2-yl}methylidene)-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-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

2958-7525

Molecular Formula

C22H15ClN2O5S (C22 H15 ClN2 O5 S)

Compound Name

(5Z)-5-({5-[(4-chlorophenyl)sulfanyl]furan-2-yl}methylidene)-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione

IUPAC name

(5Z)-5-({5-[(4-chlorophenyl)sulfanyl]furan-2-yl}methylidene)-1-(4-methoxyphenyl)-13-diazinane-246-trione

SMILES

COc(cc1)ccc1N(C(/C(/C(N1)=O)=C\c(o2)ccc2Sc(cc2)ccc2Cl)=O)C1=O

InChI

InChI=1S/C22H15ClN2O5S/c1-29-15-6-4-14(5-7-15)25-21(27)18(20(26)24-22(25)28)12-16-8-11-19(30-16)31-17-9-2-13(23)3-10-17/h2-12H,1H3,(H,24,26,28)

InChI Key

UJNUHVKAVIMYHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01873590

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.89

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.745

Distribution Coefficient, logD

4.432

Water Solubility, LogSw

-4.92

Polar Surface Area

68.725

Acid Dissociation Constant (pKa)

7.38

Base Dissociation Constant (pKb)

-5.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

2958-7525 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 2958-7525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2958-7525?
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What is the minimum amount of 2958-7525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2958-7525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2958-7525
  • 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 2958-7525 available by request