8016-4672 Screening compound: 2,4-dichlorobenzyl {3-[(2,4-dichlorobenzyl)sulfanyl]-12,12-dimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]di[1,2,4]triazolo[4,3-a:4,3-c]pyrimidin-7-yl} sulfide

8016-4672 Screening compound: 2,4-dichlorobenzyl {3-[(2,4-dichlorobenzyl)sulfanyl]-12,12-dimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]di[1,2,4]triazolo[4,3-a:4,3-c]pyrimidin-7-yl} sulfide
8016-4672 Screening compound: 2,4-dichlorobenzyl {3-[(2,4-dichlorobenzyl)sulfanyl]-12,12-dimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]di[1,2,4]triazolo[4,3-a:4,3-c]pyrimidin-7-yl} sulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-4672
2,4-dichlorobenzyl {3-[(2,4-dichlorobenzyl)sulfanyl]-12,12-dimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]di[1,2,4]triazolo[4,3-a:4,3-c]pyrimidin-7-yl} sulfide

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

8016-4672

Molecular Formula

C27H20Cl4N6OS3 (C27 H20 Cl4 N6 OS3)

Compound Name

2,4-dichlorobenzyl {3-[(2,4-dichlorobenzyl)sulfanyl]-12,12-dimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]di[1,2,4]triazolo[4,3-a:4,3-c]pyrimidin-7-yl} sulfide

IUPAC name

38-bis({[(24-dichlorophenyl)methyl]sulfanyl})-1515-dimethyl-16-oxa-19-thia-2457910-hexaazapentacyclo[10.7.0.0^{26}.0^{711}.0^{1318}]nonadeca-1(12)3581013(18)-hexaene

SMILES

CC(C)(C1)OCc2c1c(c(n1c(n34)nnc3SCc(ccc(Cl)c3)c3Cl)nnc1SCc(ccc(Cl)c1)c1Cl)c4s2

InChI

InChI=1S/C27H20Cl4N6OS3/c1-27(2)9-17-20(10-38-27)41-23-21(17)22-32-34-25(39-11-13-3-5-15(28)7-18(13)30)36(22)24-33-35-26(37(23)24)40-12-14-4-6-16(29)8-19(14)31/h3-8H,9-12H2,1-2H3

InChI Key

HSKIAHZKRMXDQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05856622

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

682.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

8.911

Distribution Coefficient, logD

8.911

Water Solubility, LogSw

-6.78

Polar Surface Area

53.541

Acid Dissociation Constant (pKa)

22.28

Base Dissociation Constant (pKb)

2.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.93

References: we are preparing a list of scientific research reports with 8016-4672 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8016-4672 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-4672
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-4672
  • 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 8016-4672 available by request