D008-0147 Screening compound: 6-[6,13,15-trioxo-9-phenyl-3,7-dithia-5,14-diazapentacyclo[9.5.1.0~2,10~.0~4,8~.0~12,16~]heptadec-4(8)-en-14-yl]hexanoic acid

D008-0147 Screening compound: 6-[6,13,15-trioxo-9-phenyl-3,7-dithia-5,14-diazapentacyclo[9.5.1.0~2,10~.0~4,8~.0~12,16~]heptadec-4(8)-en-14-yl]hexanoic acid
D008-0147 Screening compound: 6-[6,13,15-trioxo-9-phenyl-3,7-dithia-5,14-diazapentacyclo[9.5.1.0~2,10~.0~4,8~.0~12,16~]heptadec-4(8)-en-14-yl]hexanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D008-0147
6-[6,13,15-trioxo-9-phenyl-3,7-dithia-5,14-diazapentacyclo[9.5.1.0~2,10~.0~4,8~.0~12,16~]heptadec-4(8)-en-14-yl]hexanoic acid

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

D008-0147

Molecular Formula

C25H26N2O5S2 (C25 H26 N2 O5 S2)

Compound Name

6-[6,13,15-trioxo-9-phenyl-3,7-dithia-5,14-diazapentacyclo[9.5.1.0~2,10~.0~4,8~.0~12,16~]heptadec-4(8)-en-14-yl]hexanoic acid

IUPAC name

6-{61315-trioxo-9-phenyl-37-dithia-514-diazapentacyclo[9.5.1.0^{210}.0^{48}.0^{1216}]heptadec-4(8)-en-14-yl}hexanoic acid

SMILES

OC(CCCCCN(C(C(C(C1)C2C3c4ccccc4)C4C1C2SC(N1)=C3SC1=O)=O)C4=O)=O

InChI

InChI=1S/C25H26N2O5S2/c28-15(29)9-5-2-6-10-27-23(30)18-13-11-14(19(18)24(27)31)20-17(13)16(12-7-3-1-4-8-12)21-22(33-20)26-25(32)34-21/h1,3-4,7-8,13-14,16-20H,2,5-6,9-11H2,(H,26,32)(H,28,29)

InChI Key

FVOVJCMDSUYMEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05838704

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.62

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.854

Distribution Coefficient, logD

0.026

Water Solubility, LogSw

-3.55

Polar Surface Area

81.682

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

0.38

Number of Chiral Centers

7.00

Percent sp3 carbon bonding

52.00

D008-0147 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 D008-0147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D008-0147?
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What is the minimum amount of D008-0147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D008-0147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D008-0147
  • 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 D008-0147 available by request