5756-2035 Screening compound: (5Z)-3-benzyl-5-({4-oxo-2-[(2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

5756-2035 Screening compound: (5Z)-3-benzyl-5-({4-oxo-2-[(2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
5756-2035 Screening compound: (5Z)-3-benzyl-5-({4-oxo-2-[(2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5756-2035
(5Z)-3-benzyl-5-({4-oxo-2-[(2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

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

5756-2035

Molecular Formula

C27H22N4O2S2 (C27 H22 N4 O2 S2)

Compound Name

(5Z)-3-benzyl-5-({4-oxo-2-[(2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5Z)-3-benzyl-5-({4-oxo-2-[(2-phenylethyl)amino]-4H-pyrido[12-a]pyrimidin-3-yl}methylidene)-2-sulfanylidene-13-thiazolidin-4-one

SMILES

O=C(/C(/S1)=C/C2=C(NCCc3ccccc3)N=C(C=CC=C3)N3C2=O)N(Cc2ccccc2)C1=S

InChI

InChI=1S/C27H22N4O2S2/c32-25-21(17-22-26(33)31(27(34)35-22)18-20-11-5-2-6-12-20)24(29-23-13-7-8-16-30(23)25)28-15-14-19-9-3-1-4-10-19/h1-13,16-17,28H,14-15,18H2

InChI Key

SCWGWULFAXESKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03141359

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.145

Distribution Coefficient, logD

4.145

Water Solubility, LogSw

-4.37

Polar Surface Area

51.027

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 5756-2035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5756-2035?
Check Price and Availability of 5756-2035, 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 5756-2035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5756-2035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5756-2035
  • 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 5756-2035 available by request