2368-1598 Screening compound: 5-{[1-(4-chlorophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

2368-1598 Screening compound: 5-{[1-(4-chlorophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
2368-1598 Screening compound: 5-{[1-(4-chlorophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2368-1598
5-{[1-(4-chlorophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

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

2368-1598

Molecular Formula

C39H26ClN3O2S (C39 H26 ClN3 O2 S)

Compound Name

5-{[1-(4-chlorophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

IUPAC name

5-{[1-(4-chlorophenyl)-25-diphenyl-1H-pyrrol-3-yl]methylidene}-13-diphenyl-2-sulfanylidene-13-diazinane-46-dione

SMILES

O=C(C(C(N1c2ccccc2)=O)=Cc(cc2-c3ccccc3)c(-c3ccccc3)n2-c(cc2)ccc2Cl)N(c2ccccc2)C1=S

InChI

InChI=1S/C39H26ClN3O2S/c40-30-21-23-33(24-22-30)41-35(27-13-5-1-6-14-27)26-29(36(41)28-15-7-2-8-16-28)25-34-37(44)42(31-17-9-3-10-18-31)39(46)43(38(34)45)32-19-11-4-12-20-32/h1-26H

InChI Key

OWQIVEVBJVKYAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01611516

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

636.17

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

8.102

Distribution Coefficient, logD

8.102

Water Solubility, LogSw

-6.78

Polar Surface Area

30.701

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 2368-1598 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2368-1598
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  • 2–4 weeks for large selections
Delivery formats for 2368-1598
  • 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 2368-1598 available by request