D008-0056 Screening compound: 9,14-bis(4-chlorophenyl)-3,7-dithia-5,14-diazapentacyclo[9.5.1.0~2,10~.0~4,8~.0~12,16~]heptadec-4(8)-ene-6,13,15-trione

D008-0056 Screening compound: 9,14-bis(4-chlorophenyl)-3,7-dithia-5,14-diazapentacyclo[9.5.1.0~2,10~.0~4,8~.0~12,16~]heptadec-4(8)-ene-6,13,15-trione
D008-0056 Screening compound: 9,14-bis(4-chlorophenyl)-3,7-dithia-5,14-diazapentacyclo[9.5.1.0~2,10~.0~4,8~.0~12,16~]heptadec-4(8)-ene-6,13,15-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound D008-0056
9,14-bis(4-chlorophenyl)-3,7-dithia-5,14-diazapentacyclo[9.5.1.0~2,10~.0~4,8~.0~12,16~]heptadec-4(8)-ene-6,13,15-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

D008-0056

Molecular Formula

C25H18Cl2N2O3S2 (C25 H18 Cl2 N2 O3 S2)

Compound Name

9,14-bis(4-chlorophenyl)-3,7-dithia-5,14-diazapentacyclo[9.5.1.0~2,10~.0~4,8~.0~12,16~]heptadec-4(8)-ene-6,13,15-trione

IUPAC name

914-bis(4-chlorophenyl)-37-dithia-514-diazapentacyclo[9.5.1.0^{210}.0^{48}.0^{1216}]heptadec-4(8)-ene-61315-trione

SMILES

O=C(C(C(CC1C2SC(N3)=C4SC3=O)C2C4c(cc2)ccc2Cl)C1C1=O)N1c(cc1)ccc1Cl

InChI

InChI=1S/C25H18Cl2N2O3S2/c26-11-3-1-10(2-4-11)16-17-14-9-15(20(17)33-22-21(16)34-25(32)28-22)19-18(14)23(30)29(24(19)31)13-7-5-12(27)6-8-13/h1-8,14-20H,9H2,(H,28,32)

InChI Key

SZPKYMSJSMGNOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03620246

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.986

Distribution Coefficient, logD

4.986

Water Solubility, LogSw

-5.49

Polar Surface Area

52.436

Acid Dissociation Constant (pKa)

11.50

Base Dissociation Constant (pKb)

0.38

Number of Chiral Centers

7.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with D008-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D008-0056?
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What is the minimum amount of D008-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D008-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D008-0056
  • 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 D008-0056 available by request