5999-5873 Screening compound: (5E)-3-heptyl-5-({2-[(2-hydroxyethyl)amino]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

5999-5873 Screening compound: (5E)-3-heptyl-5-({2-[(2-hydroxyethyl)amino]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
5999-5873 Screening compound: (5E)-3-heptyl-5-({2-[(2-hydroxyethyl)amino]-4-oxo-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 5999-5873
(5E)-3-heptyl-5-({2-[(2-hydroxyethyl)amino]-4-oxo-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

5999-5873

Molecular Formula

C21H26N4O3S2 (C21 H26 N4 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CCCCCCCN(C(/C(/S1)=C\C2=C(NCCO)N=C(C=CC=C3)N3C2=O)=O)C1=S

InChI

InChI=1S/C21H26N4O3S2/c1-2-3-4-5-7-12-25-20(28)16(30-21(25)29)14-15-18(22-10-13-26)23-17-9-6-8-11-24(17)19(15)27/h6,8-9,11,14,22,26H,2-5,7,10,12-13H2,1H3

InChI Key

OVERZQKJDZXKMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06276760

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.300

Distribution Coefficient, logD

3.300

Water Solubility, LogSw

-3.31

Polar Surface Area

68.204

Acid Dissociation Constant (pKa)

11.76

Base Dissociation Constant (pKb)

1.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with 5999-5873 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5999-5873?
Check Price and Availability of 5999-5873, 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 5999-5873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5999-5873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5999-5873
  • 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 5999-5873 available by request