4678-0103 Screening compound: (5Z)-3-cyclohexyl-5-[(4-oxo-2-{[(oxolan-2-yl)methyl]amino}-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

4678-0103 Screening compound: (5Z)-3-cyclohexyl-5-[(4-oxo-2-{[(oxolan-2-yl)methyl]amino}-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
4678-0103 Screening compound: (5Z)-3-cyclohexyl-5-[(4-oxo-2-{[(oxolan-2-yl)methyl]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 4678-0103
(5Z)-3-cyclohexyl-5-[(4-oxo-2-{[(oxolan-2-yl)methyl]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

4678-0103

Molecular Formula

C23H26N4O3S2 (C23 H26 N4 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(/C(/S1)=C/C2=C(NCC3OCCC3)N=C(C=CC=C3)N3C2=O)N(C2CCCCC2)C1=S

InChI

InChI=1S/C23H26N4O3S2/c28-21-17(13-18-22(29)27(23(31)32-18)15-7-2-1-3-8-15)20(24-14-16-9-6-12-30-16)25-19-10-4-5-11-26(19)21/h4-5,10-11,13,15-16,24H,1-3,6-9,12,14H2/t16-/m1/s1

InChI Key

YSFTVTLHZHBFBM-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD02977782

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.852

Distribution Coefficient, logD

2.852

Water Solubility, LogSw

-3.13

Polar Surface Area

59.061

Acid Dissociation Constant (pKa)

10.84

Base Dissociation Constant (pKb)

0.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

4678-0103 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4678-0103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4678-0103?
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What is the minimum amount of 4678-0103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4678-0103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4678-0103
  • 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 4678-0103 available by request