Y021-2279 Screening compound: 4,4-dimethyl-6-{[(1-phenyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]methyl}-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione

Y021-2279 Screening compound: 4,4-dimethyl-6-{[(1-phenyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]methyl}-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione
Y021-2279 Screening compound: 4,4-dimethyl-6-{[(1-phenyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]methyl}-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-2279
4,4-dimethyl-6-{[(1-phenyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]methyl}-4H-pyrrolo[3,2,1-ij]quinoline-1,2-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

Y021-2279

Molecular Formula

C21H17N5O2S (C21 H17 N5 O2 S)

Compound Name

4,4-dimethyl-6-{[(1-phenyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]methyl}-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione

IUPAC name

1111-dimethyl-9-{[(1-phenyl-1H-1234-tetrazol-5-yl)sulfanyl]methyl}-1-azatricyclo[6.3.1.0^{412}]dodeca-4(12)579-tetraene-23-dione

SMILES

CC(C)(C=C(CSc1nnnn1-c1ccccc1)c1c2c(C3=O)ccc1)N2C3=O

InChI

InChI=1S/C21H17N5O2S/c1-21(2)11-13(15-9-6-10-16-17(15)25(21)19(28)18(16)27)12-29-20-22-23-24-26(20)14-7-4-3-5-8-14/h3-11H,12H2,1-2H3

InChI Key

FEWIBPLGWKONBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30712759

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.489

Distribution Coefficient, logD

3.489

Water Solubility, LogSw

-3.92

Polar Surface Area

69.490

Acid Dissociation Constant (pKa)

29.39

Base Dissociation Constant (pKb)

-1.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.05

References: we are preparing a list of scientific research reports with Y021-2279 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-2279
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  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-2279
  • 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 Y021-2279 available by request