5756-2548 Screening compound: 3-[5-((Z)-1-{2-[(2-methoxyethyl)amino]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolan-3-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

5756-2548 Screening compound: 3-[5-((Z)-1-{2-[(2-methoxyethyl)amino]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolan-3-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
5756-2548 Screening compound: 3-[5-((Z)-1-{2-[(2-methoxyethyl)amino]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolan-3-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5756-2548
3-[5-((Z)-1-{2-[(2-methoxyethyl)amino]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolan-3-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-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

5756-2548

Molecular Formula

C19H20N4O5S3 (C19 H20 N4 O5 S3)

Compound Name

3-[5-((Z)-1-{2-[(2-methoxyethyl)amino]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolan-3-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

IUPAC name

3-[(5Z)-5-({2-[(2-methoxyethyl)amino]-4-oxo-4H-pyrido[12-a]pyrimidin-3-yl}methylidene)-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]-1lambda6-thiolane-11-dione

SMILES

COCCNC(N=C1N2C=CC=C1)=C(/C=C(/C(N1C(CC3)CS3(=O)=O)=O)\SC1=S)C2=O

InChI

InChI=1S/C19H20N4O5S3/c1-28-8-6-20-16-13(17(24)22-7-3-2-4-15(22)21-16)10-14-18(25)23(19(29)30-14)12-5-9-31(26,27)11-12/h2-4,7,10,12,20H,5-6,8-9,11H2,1H3/t12-/m1/s1

InChI Key

YDMATNHCZPTWEG-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD03933189

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.59

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.000

Distribution Coefficient, logD

0.000

Water Solubility, LogSw

-1.67

Polar Surface Area

87.300

Acid Dissociation Constant (pKa)

11.10

Base Dissociation Constant (pKb)

1.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

References: we are preparing a list of scientific research reports with 5756-2548 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5756-2548?
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What is the minimum amount of 5756-2548 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5756-2548
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5756-2548
  • 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 5756-2548 available by request