8015-4026 Screening compound: 2-methoxy-7,7-dimethyl-4-(4-oxo-2-thioxo-1,3-thiazolan-5-yliden)-10-thioxo-7,10-dihydro[1,2]dithiolo[3,4-c]pyrrolo[3,2,1-ij]quinolin-5-one

8015-4026 Screening compound: 2-methoxy-7,7-dimethyl-4-(4-oxo-2-thioxo-1,3-thiazolan-5-yliden)-10-thioxo-7,10-dihydro[1,2]dithiolo[3,4-c]pyrrolo[3,2,1-ij]quinolin-5-one
8015-4026 Screening compound: 2-methoxy-7,7-dimethyl-4-(4-oxo-2-thioxo-1,3-thiazolan-5-yliden)-10-thioxo-7,10-dihydro[1,2]dithiolo[3,4-c]pyrrolo[3,2,1-ij]quinolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-4026
2-methoxy-7,7-dimethyl-4-(4-oxo-2-thioxo-1,3-thiazolan-5-yliden)-10-thioxo-7,10-dihydro[1,2]dithiolo[3,4-c]pyrrolo[3,2,1-ij]quinolin-5-one

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

8015-4026

Molecular Formula

C18H12N2O3S5 (C18 H12 N2 O3 S5)

Compound Name

2-methoxy-7,7-dimethyl-4-(4-oxo-2-thioxo-1,3-thiazolan-5-yliden)-10-thioxo-7,10-dihydro[1,2]dithiolo[3,4-c]pyrrolo[3,2,1-ij]quinolin-5-one

IUPAC name

13-methoxy-77-dimethyl-10-[(5Z)-4-oxo-2-sulfanylidene-13-thiazolidin-5-ylidene]-3-sulfanylidene-45-dithia-8-azatetracyclo[6.6.1.0^{26}.0^{1115}]pentadeca-1(15)2(6)1113-tetraen-9-one

SMILES

CC(C)(C(SSC1=S)=C1c1cc(OC)cc(/C2=C(\C(N3)=O)/SC3=S)c11)N1C2=O

InChI

InChI=1S/C18H12N2O3S5/c1-18(2)13-10(16(24)28-27-13)8-5-6(23-3)4-7-9(15(22)20(18)11(7)8)12-14(21)19-17(25)26-12/h4-5H,1-3H3,(H,19,21,25)

InChI Key

QARDGBCMNCSMGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03903939

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.63

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.941

Distribution Coefficient, logD

0.527

Water Solubility, LogSw

-3.52

Polar Surface Area

49.009

Acid Dissociation Constant (pKa)

4.99

Base Dissociation Constant (pKb)

-2.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

8015-4026 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8015-4026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-4026?
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What is the minimum amount of 8015-4026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-4026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-4026
  • 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 8015-4026 available by request