D008-0190 Screening compound: 14-(4-methylphenyl)-9-(2-thienyl)-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

D008-0190 Screening compound: 14-(4-methylphenyl)-9-(2-thienyl)-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
D008-0190 Screening compound: 14-(4-methylphenyl)-9-(2-thienyl)-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 D008-0190
14-(4-methylphenyl)-9-(2-thienyl)-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

D008-0190

Molecular Formula

C24H20N2O3S3 (C24 H20 N2 O3 S3)

Compound Name

14-(4-methylphenyl)-9-(2-thienyl)-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

14-(4-methylphenyl)-9-(thiophen-2-yl)-37-dithia-514-diazapentacyclo[9.5.1.0^{210}.0^{48}.0^{1216}]heptadec-4(8)-ene-61315-trione

SMILES

Cc(cc1)ccc1N(C(C(C(C1)C2C3c4cccs4)C4C1C2SC(N1)=C3SC1=O)=O)C4=O

InChI

InChI=1S/C24H20N2O3S3/c1-10-4-6-11(7-5-10)26-22(27)16-12-9-13(17(16)23(26)28)19-15(12)18(14-3-2-8-30-14)20-21(31-19)25-24(29)32-20/h2-8,12-13,15-19H,9H2,1H3,(H,25,29)

InChI Key

UCNBVVAYWYZUQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06440207

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.63

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

3.849

Distribution Coefficient, logD

3.849

Water Solubility, LogSw

-3.97

Polar Surface Area

53.455

Acid Dissociation Constant (pKa)

11.27

Base Dissociation Constant (pKb)

-14.08

Number of Chiral Centers

7.00

Percent sp3 carbon bonding

37.50

D008-0190 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D008-0190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D008-0190?
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What is the minimum amount of D008-0190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D008-0190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D008-0190
  • 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 D008-0190 available by request