Y020-5577 Screening compound: 1-(9H-carbazol-9-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)-1-ethanone

Y020-5577 Screening compound: 1-(9H-carbazol-9-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)-1-ethanone
Y020-5577 Screening compound: 1-(9H-carbazol-9-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-5577
1-(9H-carbazol-9-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)-1-ethanone

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

Y020-5577

Molecular Formula

C22H14N4OS2 (C22 H14 N4 OS2)

Compound Name

1-(9H-carbazol-9-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)-1-ethanone

IUPAC name

1-(9H-carbazol-9-yl)-2-{7-thia-245-triazatricyclo[6.4.0.0^{26}]dodeca-1(8)35911-pentaen-3-ylsulfanyl}ethan-1-one

SMILES

O=C(CSc1nnc2sc(cccc3)c3n12)n1c(cccc2)c2c2c1cccc2

InChI

InChI=1S/C22H14N4OS2/c27-20(25-16-9-3-1-7-14(16)15-8-2-4-10-17(15)25)13-28-21-23-24-22-26(21)18-11-5-6-12-19(18)29-22/h1-12H,13H2

InChI Key

RWQQQVVWZSBUBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03289965

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.995

Distribution Coefficient, logD

4.995

Water Solubility, LogSw

-5.11

Polar Surface Area

36.694

Acid Dissociation Constant (pKa)

13.32

Base Dissociation Constant (pKb)

2.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

Y020-5577 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y020-5577 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-5577?
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What is the minimum amount of Y020-5577 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-5577
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-5577
  • 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 Y020-5577 available by request