5113-0942 Screening compound: (6Z)-6-[(3,5-dimethoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}phenyl)methylidene]-5-imino-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one

5113-0942 Screening compound: (6Z)-6-[(3,5-dimethoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}phenyl)methylidene]-5-imino-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
5113-0942 Screening compound: (6Z)-6-[(3,5-dimethoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}phenyl)methylidene]-5-imino-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5113-0942
(6Z)-6-[(3,5-dimethoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}phenyl)methylidene]-5-imino-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-7-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

5113-0942

Molecular Formula

C26H25N3O5S (C26 H25 N3 O5 S)

Compound Name

(6Z)-6-[(3,5-dimethoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}phenyl)methylidene]-5-imino-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one

IUPAC name

(6Z)-6-[(35-dimethoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}phenyl)methylidene]-5-imino-5H6H7H-[13]thiazolo[32-a]pyrimidin-7-one

SMILES

COc1cc(/C=C(/C(N(C=CS2)C2=N2)=N)\C2=O)cc(OC)c1OCCOc1c(CC=C)cccc1

InChI

InChI=1S/C26H25N3O5S/c1-4-7-18-8-5-6-9-20(18)33-11-12-34-23-21(31-2)15-17(16-22(23)32-3)14-19-24(27)29-10-13-35-26(29)28-25(19)30/h4-6,8-10,13-16,27H,1,7,11-12H2,2-3H3

InChI Key

PNKCCPVZJMHENP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03711745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.339

Distribution Coefficient, logD

3.334

Water Solubility, LogSw

-3.55

Polar Surface Area

72.755

Acid Dissociation Constant (pKa)

26.19

Base Dissociation Constant (pKb)

5.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with 5113-0942 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5113-0942?
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What is the minimum amount of 5113-0942 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5113-0942
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5113-0942
  • 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 5113-0942 available by request