5685-0834 Screening compound: 6-(4-chlorophenyl)-8-(4-methoxyphenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione

5685-0834 Screening compound: 6-(4-chlorophenyl)-8-(4-methoxyphenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione
5685-0834 Screening compound: 6-(4-chlorophenyl)-8-(4-methoxyphenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5685-0834
6-(4-chlorophenyl)-8-(4-methoxyphenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-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

5685-0834

Molecular Formula

C21H15ClN2O4S2 (C21 H15 ClN2 O4 S2)

Compound Name

6-(4-chlorophenyl)-8-(4-methoxyphenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione

IUPAC name

11-(4-chlorophenyl)-8-(4-methoxyphenyl)-26-dithia-411-diazatricyclo[7.3.0.0^{37}]dodec-3(7)-ene-51012-trione

SMILES

COc1ccc(C(C2C(N3c(cc4)ccc4Cl)=O)C(SC(N4)=O)=C4SC2C3=O)cc1

InChI

InChI=1S/C21H15ClN2O4S2/c1-28-13-8-2-10(3-9-13)14-15-17(29-18-16(14)30-21(27)23-18)20(26)24(19(15)25)12-6-4-11(22)5-7-12/h2-9,14-15,17H,1H3,(H,23,27)

InChI Key

JPENLJDCZCIJEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03622065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.95

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.664

Distribution Coefficient, logD

3.664

Water Solubility, LogSw

-4.51

Polar Surface Area

59.407

Acid Dissociation Constant (pKa)

11.15

Base Dissociation Constant (pKb)

-1.33

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with 5685-0834 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5685-0834?
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What is the minimum amount of 5685-0834 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5685-0834
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5685-0834
  • 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 5685-0834 available by request