8014-9863 Screening compound: 9-(3,5-dichlorophenyl)-2,7,7-trimethyl-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione

8014-9863 Screening compound: 9-(3,5-dichlorophenyl)-2,7,7-trimethyl-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione
8014-9863 Screening compound: 9-(3,5-dichlorophenyl)-2,7,7-trimethyl-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-9863
9-(3,5-dichlorophenyl)-2,7,7-trimethyl-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione

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

8014-9863

Molecular Formula

C21H14Cl2N2O2S2 (C21 H14 Cl2 N2 O2 S2)

Compound Name

9-(3,5-dichlorophenyl)-2,7,7-trimethyl-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione

IUPAC name

4-(35-dichlorophenyl)-7713-trimethyl-3-sulfanylidene-5-thia-48-diazatetracyclo[6.6.1.0^{26}.0^{1115}]pentadeca-1(15)2(6)1113-tetraene-910-dione

SMILES

CC(C)(C(SN(C1=S)c2cc(Cl)cc(Cl)c2)=C1c1c2c(C3=O)cc(C)c1)N2C3=O

InChI

InChI=1S/C21H14Cl2N2O2S2/c1-9-4-13-15-18(21(2,3)24-16(13)14(5-9)17(26)19(24)27)29-25(20(15)28)12-7-10(22)6-11(23)8-12/h4-8H,1-3H3

InChI Key

KTVMSYZDDNXZMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03821454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.506

Distribution Coefficient, logD

5.506

Water Solubility, LogSw

-5.92

Polar Surface Area

32.773

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

2.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

8014-9863 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8014-9863 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-9863?
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What is the minimum amount of 8014-9863 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-9863
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-9863
  • 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 8014-9863 available by request