Y020-5904 Screening compound: [(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamoyl]methyl 4-methylpiperidine-1-carbodithioate

Y020-5904 Screening compound: [(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamoyl]methyl 4-methylpiperidine-1-carbodithioate
Y020-5904 Screening compound: [(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamoyl]methyl 4-methylpiperidine-1-carbodithioate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-5904
[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamoyl]methyl 4-methylpiperidine-1-carbodithioate

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

Y020-5904

Molecular Formula

C17H25N3OS3 (C17 H25 N3 OS3)

Compound Name

[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamoyl]methyl 4-methylpiperidine-1-carbodithioate

IUPAC name

[(6-methyl-4567-tetrahydro-13-benzothiazol-2-yl)carbamoyl]methyl 4-methylpiperidine-1-carbodithioate

SMILES

CC(CC1)CCN1C(SCC(Nc1nc(CCC(C)C2)c2s1)=O)=S

InChI

InChI=1S/C17H25N3OS3/c1-11-5-7-20(8-6-11)17(22)23-10-15(21)19-16-18-13-4-3-12(2)9-14(13)24-16/h11-12H,3-10H2,1-2H3,(H,18,19,21)/t12-/m1/s1

InChI Key

AAWKIMCYUVADNJ-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD03941361

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.720

Distribution Coefficient, logD

4.662

Water Solubility, LogSw

-4.33

Polar Surface Area

37.676

Acid Dissociation Constant (pKa)

8.25

Base Dissociation Constant (pKb)

3.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.60

References: we are preparing a list of scientific research reports with Y020-5904 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-5904?
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What is the minimum amount of Y020-5904 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-5904
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-5904
  • 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 Y020-5904 available by request