8016-9513 Screening compound: 2,4-bis[(3,4-dichlorobenzyl)sulfanyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole

8016-9513 Screening compound: 2,4-bis[(3,4-dichlorobenzyl)sulfanyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole
8016-9513 Screening compound: 2,4-bis[(3,4-dichlorobenzyl)sulfanyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9513
2,4-bis[(3,4-dichlorobenzyl)sulfanyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole

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

8016-9513

Molecular Formula

C24H19Cl4N3S2 (C24 H19 Cl4 N3 S2)

Compound Name

2,4-bis[(3,4-dichlorobenzyl)sulfanyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole

IUPAC name

24-bis({[(34-dichlorophenyl)methyl]sulfanyl})-5H6H7H8H9H-pyrimido[45-b]indole

SMILES

Clc(ccc(CSc1c(c(CCCC2)c2[nH]2)c2nc(SCc(cc2)cc(Cl)c2Cl)n1)c1)c1Cl

InChI

InChI=1S/C24H19Cl4N3S2/c25-16-7-5-13(9-18(16)27)11-32-23-21-15-3-1-2-4-20(15)29-22(21)30-24(31-23)33-12-14-6-8-17(26)19(28)10-14/h5-10H,1-4,11-12H2,(H,29,30,31)

InChI Key

URZLQLVCAUUKFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02992920

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

555.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

8.961

Distribution Coefficient, logD

8.961

Water Solubility, LogSw

-7.24

Polar Surface Area

29.217

Acid Dissociation Constant (pKa)

16.75

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 8016-9513 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 8016-9513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9513
  • 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 8016-9513 available by request