4678-0046 Screening compound: (5Z)-3-cyclohexyl-5-({2-[(2-hydroxyethyl)amino]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

4678-0046 Screening compound: (5Z)-3-cyclohexyl-5-({2-[(2-hydroxyethyl)amino]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
4678-0046 Screening compound: (5Z)-3-cyclohexyl-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 4678-0046
(5Z)-3-cyclohexyl-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

4678-0046

Molecular Formula

C20H22N4O3S2 (C20 H22 N4 O3 S2)

Compound Name

(5Z)-3-cyclohexyl-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

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

SMILES

OCCNC(N=C1N2C=CC=C1)=C(/C=C(/C(N1C3CCCCC3)=O)\SC1=S)C2=O

InChI

InChI=1S/C20H22N4O3S2/c25-11-9-21-17-14(18(26)23-10-5-4-8-16(23)22-17)12-15-19(27)24(20(28)29-15)13-6-2-1-3-7-13/h4-5,8,10,12-13,21,25H,1-3,6-7,9,11H2

InChI Key

YQMALBHJQQTNRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02977731

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.050

Distribution Coefficient, logD

2.050

Water Solubility, LogSw

-2.33

Polar Surface Area

67.176

Acid Dissociation Constant (pKa)

11.76

Base Dissociation Constant (pKb)

1.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 4678-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4678-0046?
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What is the minimum amount of 4678-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4678-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4678-0046
  • 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 4678-0046 available by request