5091-1870 Screening compound: (6Z)-6-({4-[3-(2,6-dimethylphenoxy)propoxy]-3-methoxyphenyl}methylidene)-5-imino-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one

5091-1870 Screening compound: (6Z)-6-({4-[3-(2,6-dimethylphenoxy)propoxy]-3-methoxyphenyl}methylidene)-5-imino-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
5091-1870 Screening compound: (6Z)-6-({4-[3-(2,6-dimethylphenoxy)propoxy]-3-methoxyphenyl}methylidene)-5-imino-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5091-1870
(6Z)-6-({4-[3-(2,6-dimethylphenoxy)propoxy]-3-methoxyphenyl}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

5091-1870

Molecular Formula

C25H25N3O4S (C25 H25 N3 O4 S)

Compound Name

(6Z)-6-({4-[3-(2,6-dimethylphenoxy)propoxy]-3-methoxyphenyl}methylidene)-5-imino-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one

IUPAC name

(6Z)-6-({4-[3-(26-dimethylphenoxy)propoxy]-3-methoxyphenyl}methylidene)-5-imino-5H6H7H-[13]thiazolo[32-a]pyrimidin-7-one

SMILES

Cc1cccc(C)c1OCCCOc(ccc(/C=C(/C(N(C=CS1)C1=N1)=N)\C1=O)c1)c1OC

InChI

InChI=1S/C25H25N3O4S/c1-16-6-4-7-17(2)22(16)32-12-5-11-31-20-9-8-18(15-21(20)30-3)14-19-23(26)28-10-13-33-25(28)27-24(19)29/h4,6-10,13-15,26H,5,11-12H2,1-3H3

InChI Key

KRPZAWZPWQRPPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05977830

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.618

Distribution Coefficient, logD

3.614

Water Solubility, LogSw

-3.84

Polar Surface Area

65.124

Acid Dissociation Constant (pKa)

27.02

Base Dissociation Constant (pKb)

5.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

5091-1870 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5091-1870 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5091-1870?
Check Price and Availability of 5091-1870, 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 5091-1870 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5091-1870
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5091-1870
  • 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 5091-1870 available by request