D008-0195 Screening compound: 9-(4-fluorophenyl)-14-phenyl-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

D008-0195 Screening compound: 9-(4-fluorophenyl)-14-phenyl-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
D008-0195 Screening compound: 9-(4-fluorophenyl)-14-phenyl-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 D008-0195
9-(4-fluorophenyl)-14-phenyl-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

D008-0195

Molecular Formula

C25H19FN2O3S2 (C25 H19 FN2 O3 S2)

Compound Name

9-(4-fluorophenyl)-14-phenyl-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

9-(4-fluorophenyl)-14-phenyl-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)ccc2F)C1C1=O)N1c1ccccc1

InChI

InChI=1S/C25H19FN2O3S2/c26-12-8-6-11(7-9-12)16-17-14-10-15(20(17)32-22-21(16)33-25(31)27-22)19-18(14)23(29)28(24(19)30)13-4-2-1-3-5-13/h1-9,14-20H,10H2,(H,27,31)

InChI Key

XYZBWZHTRKBXFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06440209

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.57

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

3.704

Distribution Coefficient, logD

3.704

Water Solubility, LogSw

-4.15

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

D008-0195 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with D008-0195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D008-0195?
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What is the minimum amount of D008-0195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D008-0195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D008-0195
  • 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 D008-0195 available by request