5756-0111 Screening compound: ethyl 2-[1-(3-{[(5Z)-3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl]acetate

5756-0111 Screening compound: ethyl 2-[1-(3-{[(5Z)-3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl]acetate
5756-0111 Screening compound: ethyl 2-[1-(3-{[(5Z)-3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5756-0111
ethyl 2-[1-(3-{[(5Z)-3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl]acetate

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

5756-0111

Molecular Formula

C23H25N5O5S2 (C23 H25 N5 O5 S2)

Compound Name

ethyl 2-[1-(3-{[(5Z)-3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl]acetate

IUPAC name

ethyl 2-[1-(3-{[(5Z)-3-ethyl-4-oxo-2-sulfanylidene-13-thiazolidin-5-ylidene]methyl}-9-methyl-4-oxo-4H-pyrido[12-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl]acetate

SMILES

CCN(C(/C(/S1)=C/C2=C(N(CCN3)C(CC(OCC)=O)C3=O)N=C(C(C)=CC=C3)N3C2=O)=O)C1=S

InChI

InChI=1S/C23H25N5O5S2/c1-4-26-22(32)16(35-23(26)34)11-14-19(25-18-13(3)7-6-9-28(18)21(14)31)27-10-8-24-20(30)15(27)12-17(29)33-5-2/h6-7,9,11,15H,4-5,8,10,12H2,1-3H3,(H,24,30)/t15-/m0/s1

InChI Key

AMZFJNMGTHMAMT-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD03303912

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.61

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.458

Distribution Coefficient, logD

1.458

Water Solubility, LogSw

-1.86

Polar Surface Area

88.962

Acid Dissociation Constant (pKa)

15.19

Base Dissociation Constant (pKb)

0.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

References: we are preparing a list of scientific research reports with 5756-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5756-0111?
Check Price and Availability of 5756-0111, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5756-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5756-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5756-0111
  • 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 5756-0111 available by request