Y020-5746 Screening compound: methyl 8-methoxy-4-oxo-4H-[1,3]thiazino[3,2-a][1,3]benzimidazole-2-carboxylate

Y020-5746 Screening compound: methyl 8-methoxy-4-oxo-4H-[1,3]thiazino[3,2-a][1,3]benzimidazole-2-carboxylate
Y020-5746 Screening compound: methyl 8-methoxy-4-oxo-4H-[1,3]thiazino[3,2-a][1,3]benzimidazole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-5746
methyl 8-methoxy-4-oxo-4H-[1,3]thiazino[3,2-a][1,3]benzimidazole-2-carboxylate

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

Y020-5746

Molecular Formula

C13H10N2O4S (C13 H10 N2 O4 S)

Compound Name

methyl 8-methoxy-4-oxo-4H-[1,3]thiazino[3,2-a][1,3]benzimidazole-2-carboxylate

IUPAC name

methyl 5-methoxy-13-oxo-10-thia-18-diazatricyclo[7.4.0.0^{27}]trideca-2(7)35811-pentaene-11-carboxylate

SMILES

COC(C(Sc1nc(cc(cc2)OC)c2n11)=CC1=O)=O

InChI

InChI=1S/C13H10N2O4S/c1-18-7-3-4-9-8(5-7)14-13-15(9)11(16)6-10(20-13)12(17)19-2/h3-6H,1-2H3

InChI Key

TYOLWJVXTOXVPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03488157

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.838

Distribution Coefficient, logD

1.838

Water Solubility, LogSw

-2.35

Polar Surface Area

53.354

Acid Dissociation Constant (pKa)

32.83

Base Dissociation Constant (pKb)

-2.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.38

Y020-5746 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with Y020-5746 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-5746?
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What is the minimum amount of Y020-5746 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-5746
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-5746
  • 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 Y020-5746 available by request